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Isothiocyanates

Organosulfur compounds that contain a sulfur atom bonded to a carbon atom that is bonded to a nitrogen atom via two double bonds in the following structure: S=C=N.
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1 – 15 of 84 results
1

3-Pyridyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 17452-27-6 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00052351 InChI Key: VMSZFBSYWXMXRF-UHFFFAOYSA-N Synonym: 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate PubChem CID: 2737242 IUPAC Name: 3-isothiocyanatopyridine SMILES: C1=CC(=CN=C1)N=C=S

PubChem CID 2737242
CAS 17452-27-6
Molecular Weight (g/mol) 136.172
MDL Number MFCD00052351
SMILES C1=CC(=CN=C1)N=C=S
Synonym 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate
IUPAC Name 3-isothiocyanatopyridine
InChI Key VMSZFBSYWXMXRF-UHFFFAOYSA-N
Molecular Formula C6H4N2S
3

Ethyl isothiocyanate, 96%

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
4

Phenyl isothiocyanate, 98%

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1

PubChem CID 7673
CAS 103-72-0
Molecular Weight (g/mol) 135.18
ChEBI CHEBI:85103
MDL Number MFCD00004798
SMILES S=C=NC1=CC=CC=C1
Synonym phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate
IUPAC Name isothiocyanatobenzene
InChI Key QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Formula C7H5NS
5

p-Phenylene diisothiocyanate, 99%

CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.27 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

PubChem CID 19958
CAS 4044-65-9
Molecular Weight (g/mol) 192.27
MDL Number MFCD00004811
SMILES C1=CC(=CC=C1N=C=S)N=C=S
Synonym bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate
IUPAC Name 1,4-diisothiocyanatobenzene
InChI Key OMWQUXGVXQELIX-UHFFFAOYSA-N
Molecular Formula C8H4N2S2
6

4-Methoxybenzyl isothiocyanate, 95%

CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 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) 179.24
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
7

1-Naphthyl isothiocyanate, 98%

CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.25 MDL Number: MFCD00003882 InChI Key: JBDOSUUXMYMWQH-UHFFFAOYSA-N Synonym: 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester PubChem CID: 11080 ChEBI: CHEBI:35455 IUPAC Name: 1-isothiocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=S

PubChem CID 11080
CAS 551-06-4
Molecular Weight (g/mol) 185.25
ChEBI CHEBI:35455
MDL Number MFCD00003882
SMILES C1=CC=C2C(=C1)C=CC=C2N=C=S
Synonym 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester
IUPAC Name 1-isothiocyanatonaphthalene
InChI Key JBDOSUUXMYMWQH-UHFFFAOYSA-N
Molecular Formula C11H7NS
8

Benzyl isothiocyanate, 98%

CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.22 MDL Number: MFCD00004819 InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonym: benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S

PubChem CID 2346
CAS 622-78-6
Molecular Weight (g/mol) 149.22
ChEBI CHEBI:17484
MDL Number MFCD00004819
SMILES C1=CC=C(C=C1)CN=C=S
Synonym benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate
IUPAC Name isothiocyanatomethylbenzene
InChI Key MDKCFLQDBWCQCV-UHFFFAOYSA-N
Molecular Formula C8H7NS
9

Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol

CAS: 57-06-7 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
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
10

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
11

2-Phenylethyl isothiocyanate, 98%

CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N Synonym: 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate PubChem CID: 16741 ChEBI: CHEBI:351346 IUPAC Name: 2-isothiocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=S

PubChem CID 16741
CAS 2257-09-2
Molecular Weight (g/mol) 163.24
ChEBI CHEBI:351346
MDL Number MFCD00004821
SMILES C1=CC=C(C=C1)CCN=C=S
Synonym 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate
IUPAC Name 2-isothiocyanatoethylbenzene
InChI Key IZJDOKYDEWTZSO-UHFFFAOYSA-N
Molecular Formula C9H9NS
12

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
13

Benzyl isothiocyanate, 98%

CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004819 InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonym: benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S

PubChem CID 2346
CAS 622-78-6
Molecular Weight (g/mol) 149.211
ChEBI CHEBI:17484
MDL Number MFCD00004819
SMILES C1=CC=C(C=C1)CN=C=S
Synonym benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate
IUPAC Name isothiocyanatomethylbenzene
InChI Key MDKCFLQDBWCQCV-UHFFFAOYSA-N
Molecular Formula C8H7NS
14

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
15

1-Butyl isothiocyanate, 98+%

CAS: 592-82-5 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004824 InChI Key: LIMQQADUEULBSO-UHFFFAOYSA-N Synonym: butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate PubChem CID: 11613 ChEBI: CHEBI:50534 IUPAC Name: 1-isothiocyanatobutane SMILES: CCCCN=C=S

PubChem CID 11613
CAS 592-82-5
Molecular Weight (g/mol) 115.19
ChEBI CHEBI:50534
MDL Number MFCD00004824
SMILES CCCCN=C=S
Synonym butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate
IUPAC Name 1-isothiocyanatobutane
InChI Key LIMQQADUEULBSO-UHFFFAOYSA-N
Molecular Formula C5H9NS