Isothiocyanates

Isothiocyanates
- (24)
- (7)
- (2)
- (9)
- (1)
- (3)
- (32)
- (5)
- (2)
- (1)
- (2)
- (53)
- (4)
- (2)
- (4)
- (8)
- (1)
- (7)
- (4)
- (2)
- (4)
- (2)
- (9)
- (3)
- (1)
- (2)
- (2)
- (2)
- (15)
- (1)
- (2)
- (2)
- (2)
- (2)
- (2)
- (3)
- (3)
- (1)
- (2)
- (2)
- (2)
- (4)
- (1)
- (6)
- (3)
- (2)
- (2)
- (5)
- (2)
- (3)
- (1)
- (3)
- (8)
- (2)
- (1)
- (2)
- (4)
- (2)
- (2)
- (4)
- (4)
- (3)
- (2)
- (1)
- (5)
- (1)
- (8)
- (1)
- (34)
- (3)
- (2)
- (5)
- (7)
- (2)
- (4)
- (50)
- (23)
- (2)
- (1)
- (1)
- (2)
- (2)
- (2)
- (1)
- (3)
- (1)
- (1)
- (2)
- (1)
- (2)
- (3)
- (4)
- (1)
- (2)
- (3)
- (2)
- (2)
- (2)
- (1)
- (2)
- (1)
- (2)
- (2)
- (2)
- (1)
- (2)
- (2)
- (2)
- (2)
- (2)
- (1)
- (3)
- (2)
- (2)
- (3)
- (2)
- (5)
- (2)
- (3)
- (2)
- (1)
- (1)
- (1)
- (2)
- (2)
- (2)
- (2)
- (2)
- (1)
- (4)
- (2)
- (2)
- (1)
- (2)
- (2)
- (2)
- (2)
- (2)
- (3)
- (2)
- (15)
- (1)
- (4)
- (41)

4-Ethylphenyl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 18856-63-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00041101 InChI Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonym: 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# PubChem CID: 140438 IUPAC Name: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S
PubChem CID | 140438 |
---|---|
CAS | 18856-63-8 |
Molecular Weight (g/mol) | 163.24 |
MDL Number | MFCD00041101 |
SMILES | CCC1=CC=C(C=C1)N=C=S |
Synonym | 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# |
IUPAC Name | 1-ethyl-4-isothiocyanatobenzene |
InChI Key | XXLWCGRHJFEMQH-UHFFFAOYSA-N |
Molecular Formula | C9H9NS |
4-Ethoxyphenyl isothiocyanate, 98%
CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041096 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S
PubChem CID | 77006 |
---|---|
CAS | 3460-49-9 |
Molecular Weight (g/mol) | 179.237 |
MDL Number | MFCD00041096 |
SMILES | CCOC1=CC=C(C=C1)N=C=S |
Synonym | 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate |
IUPAC Name | 1-ethoxy-4-isothiocyanatobenzene |
InChI Key | REEKOMRZYJXXNR-UHFFFAOYSA-N |
Molecular Formula | C9H9NOS |
Ethyl isothiocyanate, 97%
CAS: 542-85-8 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00004820 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S
PubChem CID | 10966 |
---|---|
CAS | 542-85-8 |
Molecular Weight (g/mol) | 87.14 |
ChEBI | CHEBI:85098 |
MDL Number | MFCD00004820 |
SMILES | CCN=C=S |
Synonym | ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane |
IUPAC Name | isothiocyanatoethane |
InChI Key | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
Molecular Formula | C3H5NS |
2,4-Dichlorophenyl isothiocyanate, 97%
CAS: 6590-96-1 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00037827 InChI Key: WVBNZZHGECFCSH-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isothiocyanate,2,4-dichlorophenylisothiocyanate,benzene,2,4-dichloro-1-isothiocyanato,benzene, 2,4-dichloro-1-isothiocyanato,2,4-dichlorobenzenisothiocyanate,acmc-1b3n1,tos-bb-1123,2,4-dichloro-1-isothiocyanato-benzene,# PubChem CID: 81066 IUPAC Name: 2,4-dichloro-1-isothiocyanatobenzene SMILES: ClC1=CC=C(N=C=S)C(Cl)=C1
PubChem CID | 81066 |
---|---|
CAS | 6590-96-1 |
Molecular Weight (g/mol) | 204.07 |
MDL Number | MFCD00037827 |
SMILES | ClC1=CC=C(N=C=S)C(Cl)=C1 |
Synonym | 2,4-dichlorophenyl isothiocyanate,2,4-dichlorophenylisothiocyanate,benzene,2,4-dichloro-1-isothiocyanato,benzene, 2,4-dichloro-1-isothiocyanato,2,4-dichlorobenzenisothiocyanate,acmc-1b3n1,tos-bb-1123,2,4-dichloro-1-isothiocyanato-benzene,# |
IUPAC Name | 2,4-dichloro-1-isothiocyanatobenzene |
InChI Key | WVBNZZHGECFCSH-UHFFFAOYSA-N |
Molecular Formula | C7H3Cl2NS |
2,3-Dichlorophenyl isothiocyanate, 97%
CAS: 6590-97-2 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041048 InChI Key: RQZIODPVCCTBAQ-UHFFFAOYSA-N PubChem CID: 2796281 IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl
PubChem CID | 2796281 |
---|---|
CAS | 6590-97-2 |
Molecular Weight (g/mol) | 204.07 |
MDL Number | MFCD00041048 |
SMILES | ClC1=CC=CC(N=C=S)=C1Cl |
IUPAC Name | 1,2-dichloro-3-isothiocyanatobenzene |
InChI Key | RQZIODPVCCTBAQ-UHFFFAOYSA-N |
Molecular Formula | C7H3Cl2NS |
tert-Butyl isothiocyanate, 97%
CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S
PubChem CID | 11544 |
---|---|
CAS | 590-42-1 |
Molecular Weight (g/mol) | 115.19 |
MDL Number | MFCD00004816 |
SMILES | CC(C)(C)N=C=S |
Synonym | tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate |
IUPAC Name | 2-isothiocyanato-2-methylpropane |
InChI Key | ZFWFRTVIIMTOLY-UHFFFAOYSA-N |
Molecular Formula | C5H9NS |
Allyl isothiocyanate, 94%, stab.
CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S
PubChem CID | 5971 |
---|---|
CAS | 57-06-7 |
Molecular Weight (g/mol) | 99.151 |
ChEBI | CHEBI:73224 |
MDL Number | MFCD00004822 |
SMILES | C=CCN=C=S |
Synonym | allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel |
IUPAC Name | 3-isothiocyanatoprop-1-ene |
InChI Key | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
Molecular Formula | C4H5NS |
1,4-Butane diisothiocyanate, 98%
CAS: 4430-51-7 Molecular Formula: C6H8N2S2 Molecular Weight (g/mol): 172.264 MDL Number: MFCD00041136 InChI Key: RRSISCMPUAGVJN-UHFFFAOYSA-N Synonym: 1,4-butane diisothiocyanate,butane, 1,4-diisothiocyanato,tetramethylene diisothiocyanate,# PubChem CID: 138238 IUPAC Name: 1,4-diisothiocyanatobutane SMILES: C(CCN=C=S)CN=C=S
PubChem CID | 138238 |
---|---|
CAS | 4430-51-7 |
Molecular Weight (g/mol) | 172.264 |
MDL Number | MFCD00041136 |
SMILES | C(CCN=C=S)CN=C=S |
Synonym | 1,4-butane diisothiocyanate,butane, 1,4-diisothiocyanato,tetramethylene diisothiocyanate,# |
IUPAC Name | 1,4-diisothiocyanatobutane |
InChI Key | RRSISCMPUAGVJN-UHFFFAOYSA-N |
Molecular Formula | C6H8N2S2 |
4-Cyanophenyl isothiocyanate, 98%
CAS: 2719-32-6 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.194 MDL Number: MFCD00041085 InChI Key: DZFKAXLNKZXNHD-UHFFFAOYSA-N Synonym: 4-cyanophenyl isothiocyanate,benzonitrile, 4-isothiocyanato,p-cyanophenyl isothiocyanate,4-cyanophenylisothiocyanate,4-cyano-phenyl-isothiocyanate,4-isothiocyanatobenzenenitrile,4-isothiocyanato-benzonitrile,benzonitrile,4-isothiocyanato,isothiocyanic acid, p-cyanophenyl ester,benzenenitrile, 4-isothiocyanato PubChem CID: 17626 IUPAC Name: 4-isothiocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=S
PubChem CID | 17626 |
---|---|
CAS | 2719-32-6 |
Molecular Weight (g/mol) | 160.194 |
MDL Number | MFCD00041085 |
SMILES | C1=CC(=CC=C1C#N)N=C=S |
Synonym | 4-cyanophenyl isothiocyanate,benzonitrile, 4-isothiocyanato,p-cyanophenyl isothiocyanate,4-cyanophenylisothiocyanate,4-cyano-phenyl-isothiocyanate,4-isothiocyanatobenzenenitrile,4-isothiocyanato-benzonitrile,benzonitrile,4-isothiocyanato,isothiocyanic acid, p-cyanophenyl ester,benzenenitrile, 4-isothiocyanato |
IUPAC Name | 4-isothiocyanatobenzonitrile |
InChI Key | DZFKAXLNKZXNHD-UHFFFAOYSA-N |
Molecular Formula | C8H4N2S |
4-(Methoxycarbonyl)phenyl isothiocyanate, 98+%
CAS: 3662-78-0 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041099 InChI Key: WIZODHILGBTPPA-UHFFFAOYSA-N Synonym: 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate PubChem CID: 138002 IUPAC Name: methyl 4-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N=C=S
PubChem CID | 138002 |
---|---|
CAS | 3662-78-0 |
Molecular Weight (g/mol) | 193.22 |
MDL Number | MFCD00041099 |
SMILES | COC(=O)C1=CC=C(C=C1)N=C=S |
Synonym | 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate |
IUPAC Name | methyl 4-isothiocyanatobenzoate |
InChI Key | WIZODHILGBTPPA-UHFFFAOYSA-N |
Molecular Formula | C9H7NO2S |
Ethyl 3-isothiocyanatopropionate, 97%
CAS: 17126-62-4 Molecular Formula: C6H9NO2S Molecular Weight (g/mol): 159.203 MDL Number: MFCD00041130 InChI Key: UPTRONYNXNYITM-UHFFFAOYSA-N Synonym: ethyl 3-isothiocyanatopropionate,3-isothiocyanato-propionic acid ethyl ester,acmc-1ca2j,ethyl-3-isothiocynato propionate,isothiocyanato-propionic acid ethyl ester,3-isothiocyanatopropionic acid ethyl ester,propanoic acid,3-isothiocyanato-,ethyl ester,propanoic acid,3-isothiocyanato-, ethyl ester PubChem CID: 526514 IUPAC Name: ethyl 3-isothiocyanatopropanoate SMILES: CCOC(=O)CCN=C=S
PubChem CID | 526514 |
---|---|
CAS | 17126-62-4 |
Molecular Weight (g/mol) | 159.203 |
MDL Number | MFCD00041130 |
SMILES | CCOC(=O)CCN=C=S |
Synonym | ethyl 3-isothiocyanatopropionate,3-isothiocyanato-propionic acid ethyl ester,acmc-1ca2j,ethyl-3-isothiocynato propionate,isothiocyanato-propionic acid ethyl ester,3-isothiocyanatopropionic acid ethyl ester,propanoic acid,3-isothiocyanato-,ethyl ester,propanoic acid,3-isothiocyanato-, ethyl ester |
IUPAC Name | ethyl 3-isothiocyanatopropanoate |
InChI Key | UPTRONYNXNYITM-UHFFFAOYSA-N |
Molecular Formula | C6H9NO2S |
2-Methoxyethyl isothiocyanate, 98+%
CAS: 38663-85-3 Molecular Formula: C4H7NOS Molecular Weight (g/mol): 117.166 MDL Number: MFCD00041126 InChI Key: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonym: 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy PubChem CID: 123475 IUPAC Name: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S
PubChem CID | 123475 |
---|---|
CAS | 38663-85-3 |
Molecular Weight (g/mol) | 117.166 |
MDL Number | MFCD00041126 |
SMILES | COCCN=C=S |
Synonym | 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy |
IUPAC Name | 1-isothiocyanato-2-methoxyethane |
InChI Key | HTSAVXAFEVUJQE-UHFFFAOYSA-N |
Molecular Formula | C4H7NOS |
4-Nitrophenyl isothiocyanate, 97%
CAS: 2131-61-5 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.181 MDL Number: MFCD00007307 InChI Key: NXHSSIGRWJENBH-UHFFFAOYSA-N Synonym: 4-nitrophenyl isothiocyanate,4-nitrophenylisothiocyanate,p-nitrophenyl isothiocyanate,benzene, 1-isothiocyanato-4-nitro,isothiocyanic acid 4-nitrophenyl ester,1-isothiocyanato-4-nitro-benzene,4-nitrobenzenisothiocyanate,4-nitrophenyl isothiocyanate 25gr,pubchem13428,4nitrophenyl isothiocyanate PubChem CID: 75044 IUPAC Name: 1-isothiocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=S)[N+](=O)[O-]
PubChem CID | 75044 |
---|---|
CAS | 2131-61-5 |
Molecular Weight (g/mol) | 180.181 |
MDL Number | MFCD00007307 |
SMILES | C1=CC(=CC=C1N=C=S)[N+](=O)[O-] |
Synonym | 4-nitrophenyl isothiocyanate,4-nitrophenylisothiocyanate,p-nitrophenyl isothiocyanate,benzene, 1-isothiocyanato-4-nitro,isothiocyanic acid 4-nitrophenyl ester,1-isothiocyanato-4-nitro-benzene,4-nitrobenzenisothiocyanate,4-nitrophenyl isothiocyanate 25gr,pubchem13428,4nitrophenyl isothiocyanate |
IUPAC Name | 1-isothiocyanato-4-nitrobenzene |
InChI Key | NXHSSIGRWJENBH-UHFFFAOYSA-N |
Molecular Formula | C7H4N2O2S |
3-Carboxyphenyl isothiocyanate, 97%
CAS: 2131-63-7 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.193 MDL Number: MFCD00041367 InChI Key: PJRBPKOOGLKPFB-UHFFFAOYSA-N Synonym: 3-carboxyphenyl isothiocyanate,3-carboxyphenylisothiocyanate,benzoic acid, 3-isothiocyanato,benzoic acid,3-isothiocyanato,acmc-20an7x,m-carboxyphenyl isothiocyanate,3-isothiocyanato-benzoic acid,# PubChem CID: 75046 IUPAC Name: 3-isothiocyanatobenzoic acid SMILES: C1=CC(=CC(=C1)N=C=S)C(=O)O
PubChem CID | 75046 |
---|---|
CAS | 2131-63-7 |
Molecular Weight (g/mol) | 179.193 |
MDL Number | MFCD00041367 |
SMILES | C1=CC(=CC(=C1)N=C=S)C(=O)O |
Synonym | 3-carboxyphenyl isothiocyanate,3-carboxyphenylisothiocyanate,benzoic acid, 3-isothiocyanato,benzoic acid,3-isothiocyanato,acmc-20an7x,m-carboxyphenyl isothiocyanate,3-isothiocyanato-benzoic acid,# |
IUPAC Name | 3-isothiocyanatobenzoic acid |
InChI Key | PJRBPKOOGLKPFB-UHFFFAOYSA-N |
Molecular Formula | C8H5NO2S |
4-Methoxybenzyl isothiocyanate, 94%
CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S
PubChem CID | 123197 |
---|---|
CAS | 3694-57-3 |
Molecular Weight (g/mol) | 179.237 |
MDL Number | MFCD00041117 |
SMILES | COC1=CC=C(C=C1)CN=C=S |
Synonym | 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l |
IUPAC Name | 1-(isothiocyanatomethyl)-4-methoxybenzene |
InChI Key | IMFQYAJJXFXVMM-UHFFFAOYSA-N |
Molecular Formula | C9H9NOS |