Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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2,2'-Thiodiethanethiol, tech. 85%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.30 MDL Number: MFCD00004893 InChI Key: KSJBMDCFYZKAFH-UHFFFAOYSA-N Synonym: 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi PubChem CID: 77117 SMILES: SCCSCCS

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PubChem CID	77117
CAS	3570-55-6
Molecular Weight (g/mol)	154.30
MDL Number	MFCD00004893
SMILES	SCCSCCS
Synonym	2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi
InChI Key	KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula	C4H10S3

6-(Methylthio)pyridine-3-boronic acid, 95%, Thermo Scientific™

CAS: 321438-86-2 Molecular Formula: C6H8BNO2S Molecular Weight (g/mol): 169.005 MDL Number: MFCD03788238 InChI Key: UXWKVPJOPVIIRU-UHFFFAOYSA-N Synonym: 2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid PubChem CID: 2762705 IUPAC Name: (6-methylsulfanylpyridin-3-yl)boronic acid SMILES: B(C1=CN=C(C=C1)SC)(O)O

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PubChem CID	2762705
CAS	321438-86-2
Molecular Weight (g/mol)	169.005
MDL Number	MFCD03788238
SMILES	B(C1=CN=C(C=C1)SC)(O)O
Synonym	2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid
IUPAC Name	(6-methylsulfanylpyridin-3-yl)boronic acid
InChI Key	UXWKVPJOPVIIRU-UHFFFAOYSA-N
Molecular Formula	C6H8BNO2S

Di-n-pentyl sulfide, 97%

CAS: 872-10-6 Molecular Formula: C10H22S Molecular Weight (g/mol): 174.35 MDL Number: MFCD00027275 InChI Key: JOZDADPMWLVEJK-UHFFFAOYSA-N Synonym: pentyl sulfide,diamyl sulfide,pentane, 1,1'-thiobis,amyl sulfide,n-amyl sulfide,dipentyl sulphide,di-n-pentyl sulfide,dipentyl sulfide,unii-61xjn3644r,di-n-pentyl sulphide PubChem CID: 13382 IUPAC Name: 1-pentylsulfanylpentane SMILES: CCCCCSCCCCC

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PubChem CID	13382
CAS	872-10-6
Molecular Weight (g/mol)	174.35
MDL Number	MFCD00027275
SMILES	CCCCCSCCCCC
Synonym	pentyl sulfide,diamyl sulfide,pentane, 1,1'-thiobis,amyl sulfide,n-amyl sulfide,dipentyl sulphide,di-n-pentyl sulfide,dipentyl sulfide,unii-61xjn3644r,di-n-pentyl sulphide
IUPAC Name	1-pentylsulfanylpentane
InChI Key	JOZDADPMWLVEJK-UHFFFAOYSA-N
Molecular Formula	C10H22S

3-(Phenylthio)thiophene, 97%

CAS: 16718-11-9 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052043 InChI Key: WQYNBKIZHCGYCV-UHFFFAOYSA-N Synonym: 3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide PubChem CID: 2778902 IUPAC Name: 3-phenylsulfanylthiophene SMILES: S(C1=CSC=C1)C1=CC=CC=C1

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PubChem CID	2778902
CAS	16718-11-9
Molecular Weight (g/mol)	192.29
MDL Number	MFCD00052043
SMILES	S(C1=CSC=C1)C1=CC=CC=C1
Synonym	3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide
IUPAC Name	3-phenylsulfanylthiophene
InChI Key	WQYNBKIZHCGYCV-UHFFFAOYSA-N
Molecular Formula	C10H8S2

n-Butyl sulfide, 99%, pure

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 SMILES: CCCCSCCCC

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PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

4-(Methylthio)imidazole, 97%

CAS: 83553-60-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.166 MDL Number: MFCD03844702 InChI Key: NLIJIXLRIYPOHM-UHFFFAOYSA-N Synonym: 4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio PubChem CID: 13084405 IUPAC Name: 5-methylsulfanyl-1H-imidazole SMILES: CSC1=CN=CN1

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PubChem CID	13084405
CAS	83553-60-0
Molecular Weight (g/mol)	114.166
MDL Number	MFCD03844702
SMILES	CSC1=CN=CN1
Synonym	4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio
IUPAC Name	5-methylsulfanyl-1H-imidazole
InChI Key	NLIJIXLRIYPOHM-UHFFFAOYSA-N
Molecular Formula	C4H6N2S

4-Methyl-2-(methylthio)pyrimidine, 98%, Thermo Scientific Chemicals

CAS: 14001-63-9 Molecular Formula: C6H8N2S Molecular Weight (g/mol): 140.204 MDL Number: MFCD00023242 InChI Key: UCERVHYBSTYCQS-UHFFFAOYSA-N Synonym: 4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine PubChem CID: 821261 IUPAC Name: 4-methyl-2-methylsulfanylpyrimidine SMILES: CC1=NC(=NC=C1)SC

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Specifications

PubChem CID	821261
CAS	14001-63-9
Molecular Weight (g/mol)	140.204
MDL Number	MFCD00023242
SMILES	CC1=NC(=NC=C1)SC
Synonym	4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine
IUPAC Name	4-methyl-2-methylsulfanylpyrimidine
InChI Key	UCERVHYBSTYCQS-UHFFFAOYSA-N
Molecular Formula	C6H8N2S

PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
IUPAC Name	1-butylsulfanylbutane
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Di-n-decyl sulfide, 97%

CAS: 693-83-4 Molecular Formula: C20H42S Molecular Weight (g/mol): 314.62 MDL Number: MFCD00026542 InChI Key: RKYMVQJWYYOIJB-UHFFFAOYSA-N Synonym: decyl sulfide,didecyl sulfide,di-n-decyl sulfide,decane, 1,1'-thiobis,n-decyl sulfide,11-thiaheneicosane,decylthiodecane,didecyl sulphide,di-n-decylsulfide,decane,1'-thiobis PubChem CID: 69662 IUPAC Name: 1-decylsulfanyldecane SMILES: CCCCCCCCCCSCCCCCCCCCC

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Specifications

PubChem CID	69662
CAS	693-83-4
Molecular Weight (g/mol)	314.62
MDL Number	MFCD00026542
SMILES	CCCCCCCCCCSCCCCCCCCCC
Synonym	decyl sulfide,didecyl sulfide,di-n-decyl sulfide,decane, 1,1'-thiobis,n-decyl sulfide,11-thiaheneicosane,decylthiodecane,didecyl sulphide,di-n-decylsulfide,decane,1'-thiobis
IUPAC Name	1-decylsulfanyldecane
InChI Key	RKYMVQJWYYOIJB-UHFFFAOYSA-N
Molecular Formula	C20H42S

2-(4-Chlorophenylthio)benzaldehyde, 98%

CAS: 107572-07-6 Molecular Formula: C13H9ClOS Molecular Weight (g/mol): 248.724 MDL Number: MFCD00051766 InChI Key: CQKLAEUCMKGSEQ-UHFFFAOYSA-N Synonym: 2-4-chlorophenylthio benzaldehyde,2-4-chlorophenyl thio benzaldehyde,2-4-chlorophenyl sulfanyl benzaldehyde,2-4-chlorophenyl sulfanylbenzaldehyde,benzaldehyde,2-4-chlorophenyl thio,acmc-20aopf,2-4-chlorophenyl sulphanyl benzaldehyde PubChem CID: 2778624 IUPAC Name: 2-(4-chlorophenyl)sulfanylbenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl

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Specifications

PubChem CID	2778624
CAS	107572-07-6
Molecular Weight (g/mol)	248.724
MDL Number	MFCD00051766
SMILES	C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
Synonym	2-4-chlorophenylthio benzaldehyde,2-4-chlorophenyl thio benzaldehyde,2-4-chlorophenyl sulfanyl benzaldehyde,2-4-chlorophenyl sulfanylbenzaldehyde,benzaldehyde,2-4-chlorophenyl thio,acmc-20aopf,2-4-chlorophenyl sulphanyl benzaldehyde
IUPAC Name	2-(4-chlorophenyl)sulfanylbenzaldehyde
InChI Key	CQKLAEUCMKGSEQ-UHFFFAOYSA-N
Molecular Formula	C13H9ClOS

Di-2-thienyl sulfide, 97%

CAS: 3988-99-6 Molecular Formula: C8H6S3 Molecular Weight (g/mol): 198.32 MDL Number: MFCD00052047 InChI Key: AKYIWBKPINOXJY-UHFFFAOYSA-N Synonym: 2-2-thienylthio thiophene,thiophene, 2,2'-thiobis,thiophene,2,2'-thiobis,2-2-thienylsulfanyl thiophene,2-thiophen-2-ylsulfanyl thiophene,2-thienyl sulfide,di-2-thienyl sulfide,2,2'-thiobisthiophene,di 2-thienyl sulphide PubChem CID: 138094 IUPAC Name: 2-thiophen-2-ylsulfanylthiophene SMILES: S(C1=CC=CS1)C1=CC=CS1

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Specifications

PubChem CID	138094
CAS	3988-99-6
Molecular Weight (g/mol)	198.32
MDL Number	MFCD00052047
SMILES	S(C1=CC=CS1)C1=CC=CS1
Synonym	2-2-thienylthio thiophene,thiophene, 2,2'-thiobis,thiophene,2,2'-thiobis,2-2-thienylsulfanyl thiophene,2-thiophen-2-ylsulfanyl thiophene,2-thienyl sulfide,di-2-thienyl sulfide,2,2'-thiobisthiophene,di 2-thienyl sulphide
IUPAC Name	2-thiophen-2-ylsulfanylthiophene
InChI Key	AKYIWBKPINOXJY-UHFFFAOYSA-N
Molecular Formula	C8H6S3

6-(Methylthio)purine, 98%

CAS: 50-66-8 Molecular Formula: C6H6N4S Molecular Weight (g/mol): 166.20 MDL Number: MFCD00005576 InChI Key: UIJIQXGRFSPYQW-UHFFFAOYSA-N Synonym: 6-methylthio purine,6-methylmercaptopurine,6-methylthiopurine,1h-purine, 6-methylthio,6-methyl mp,purine, 6-methylthio,s-methyl-6-mercaptopurine,6-methylsulfanyl-9h-purine,unii-6v404dv25o,thiopurine s-methylether PubChem CID: 5778 ChEBI: CHEBI:28279 IUPAC Name: 6-(methylsulfanyl)-7H-purine SMILES: CSC1=C2NC=NC2=NC=N1

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PubChem CID	5778
CAS	50-66-8
Molecular Weight (g/mol)	166.20
ChEBI	CHEBI:28279
MDL Number	MFCD00005576
SMILES	CSC1=C2NC=NC2=NC=N1
Synonym	6-methylthio purine,6-methylmercaptopurine,6-methylthiopurine,1h-purine, 6-methylthio,6-methyl mp,purine, 6-methylthio,s-methyl-6-mercaptopurine,6-methylsulfanyl-9h-purine,unii-6v404dv25o,thiopurine s-methylether
IUPAC Name	6-(methylsulfanyl)-7H-purine
InChI Key	UIJIQXGRFSPYQW-UHFFFAOYSA-N
Molecular Formula	C6H6N4S

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

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Specifications

PubChem CID	78925
CAS	5271-38-5
Molecular Weight (g/mol)	92.16
ChEBI	CHEBI:63861
MDL Number	MFCD00002908
SMILES	CSCCO
Synonym	2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name	2-methylsulfanylethanol
InChI Key	WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula	C3H8OS

3,3'-Thiodipropionic acid, 98%

CAS: 111-17-1 Molecular Formula: C6H10O4S Molecular Weight (g/mol): 178.202 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

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PubChem CID	8096
CAS	111-17-1
Molecular Weight (g/mol)	178.202
MDL Number	MFCD00002781
SMILES	C(CSCCC(=O)O)C(=O)O
Synonym	3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name	3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key	ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula	C6H10O4S

3,3'-Thiodipropionic acid, 99%

CAS: 111-17-1 Molecular Formula: C₆H₁₀O₄S Molecular Weight (g/mol): 178.2 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

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Specifications

PubChem CID	8096
CAS	111-17-1
Molecular Weight (g/mol)	178.2
MDL Number	MFCD00002781
SMILES	C(CSCCC(=O)O)C(=O)O
Synonym	3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name	3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key	ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₄S

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