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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Flupentixol dihydrochloride, Thermo Scientific Chemicals

CAS: 2413-38-9 Molecular Weight (g/mol): 507.44 InChI Key: IOVDQEIIMOZNNA-MHKBYHAFSA-N IUPAC Name: dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride SMILES: [H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1

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CAS	2413-38-9
Molecular Weight (g/mol)	507.44
SMILES	[H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1
IUPAC Name	dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride
InChI Key	IOVDQEIIMOZNNA-MHKBYHAFSA-N

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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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

Diphenyl sulfide, 98%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	8766
CAS	139-66-2
Molecular Weight (g/mol)	186.27
ChEBI	CHEBI:38959
MDL Number	MFCD00003064
SMILES	S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name	phenylsulfanylbenzene
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S

2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]-1H-benzimidazole, 98%

CAS: 103577-40-8 Molecular Formula: C16H14F3N3OS Molecular Weight (g/mol): 353.363 MDL Number: MFCD00834357 InChI Key: CCHLMSUZHFPSFC-UHFFFAOYSA-N Synonym: lansoprazole sulfide,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl thio-1h-benzo d imidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methylthio-1h-benzimidazole,unii-58xp950e2t,lansoprazole sulphide compound,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio-1h-benzimidazole,2-methyl-4-2,2,2-trifluoroethoxy pyridinyl thio-1h-binzimidazole,1h-benzimidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl sulfanyl-1h-1,3-benzodiazole,2-3-methyl-4-2,2,2-trifluoroethoxy pyridinyl methyl thio-1h-benzimidazole PubChem CID: 1094080 IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole SMILES: CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F

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Specifications

PubChem CID	1094080
CAS	103577-40-8
Molecular Weight (g/mol)	353.363
MDL Number	MFCD00834357
SMILES	CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F
Synonym	lansoprazole sulfide,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl thio-1h-benzo d imidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methylthio-1h-benzimidazole,unii-58xp950e2t,lansoprazole sulphide compound,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio-1h-benzimidazole,2-methyl-4-2,2,2-trifluoroethoxy pyridinyl thio-1h-binzimidazole,1h-benzimidazole,2-3-methyl-4-2,2,2-trifluoroethoxy-2-pyridinyl methyl thio,2-3-methyl-4-2,2,2-trifluoroethoxy pyridin-2-yl methyl sulfanyl-1h-1,3-benzodiazole,2-3-methyl-4-2,2,2-trifluoroethoxy pyridinyl methyl thio-1h-benzimidazole
IUPAC Name	2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
InChI Key	CCHLMSUZHFPSFC-UHFFFAOYSA-N
Molecular Formula	C16H14F3N3OS

Diisopropyl sulfide, 99%

CAS: 625-80-9 Molecular Formula: C6H14S Molecular Weight (g/mol): 118.24 MDL Number: MFCD00008895 InChI Key: XYWDPYKBIRQXQS-UHFFFAOYSA-N Synonym: diisopropyl sulfide,isopropyl sulfide,propane, 2,2'-thiobis,2,4-dimethyl-3-thiapentane,isopropyl sulphide,diisopropyl sulphide,2,2'-thiodipropane,2-isopropylsulfanyl propane,2-propan-2-ylsulfanyl propane,isopropylsulfide PubChem CID: 12264 SMILES: CC(C)SC(C)C

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PubChem CID	12264
CAS	625-80-9
Molecular Weight (g/mol)	118.24
MDL Number	MFCD00008895
SMILES	CC(C)SC(C)C
Synonym	diisopropyl sulfide,isopropyl sulfide,propane, 2,2'-thiobis,2,4-dimethyl-3-thiapentane,isopropyl sulphide,diisopropyl sulphide,2,2'-thiodipropane,2-isopropylsulfanyl propane,2-propan-2-ylsulfanyl propane,isopropylsulfide
InChI Key	XYWDPYKBIRQXQS-UHFFFAOYSA-N
Molecular Formula	C6H14S

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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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

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

Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

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PubChem CID	81553
CAS	7133-37-1
Molecular Weight (g/mol)	130.25
MDL Number	MFCD00039460
SMILES	CSC1CCCCC1
Synonym	cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key	QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula	C7H14S

4,6-Diamino-2-(methylthio)pyrimidine, 97%, Thermo Scientific Chemicals

CAS: 1005-39-6 Molecular Formula: C5H8N4S Molecular Weight (g/mol): 156.207 MDL Number: MFCD00023241 InChI Key: AHAIUNAIAHSWPG-UHFFFAOYSA-N Synonym: 4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio PubChem CID: 70497 IUPAC Name: 2-methylsulfanylpyrimidine-4,6-diamine SMILES: CSC1=NC(=CC(=N1)N)N

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PubChem CID	70497
CAS	1005-39-6
Molecular Weight (g/mol)	156.207
MDL Number	MFCD00023241
SMILES	CSC1=NC(=CC(=N1)N)N
Synonym	4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio
IUPAC Name	2-methylsulfanylpyrimidine-4,6-diamine
InChI Key	AHAIUNAIAHSWPG-UHFFFAOYSA-N
Molecular Formula	C5H8N4S

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

tert-Butyl methyl sulfide, 98+%

CAS: 6163-64-0 Molecular Formula: C5H12S Molecular Weight (g/mol): 104.21 MDL Number: MFCD00008840 InChI Key: CJFVCTVYZFTORU-UHFFFAOYSA-N Synonym: tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx PubChem CID: 138679 IUPAC Name: 2-methyl-2-methylsulfanylpropane SMILES: CSC(C)(C)C

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PubChem CID	138679
CAS	6163-64-0
Molecular Weight (g/mol)	104.21
MDL Number	MFCD00008840
SMILES	CSC(C)(C)C
Synonym	tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx
IUPAC Name	2-methyl-2-methylsulfanylpropane
InChI Key	CJFVCTVYZFTORU-UHFFFAOYSA-N
Molecular Formula	C5H12S

Thioxanthene, 98%

CAS: 261-31-4 Molecular Formula: C13H10S Molecular Weight (g/mol): 198.28 MDL Number: MFCD00046936 InChI Key: PQJUJGAVDBINPI-UHFFFAOYSA-N Synonym: thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451 PubChem CID: 67495 ChEBI: CHEBI:51055 IUPAC Name: 9H-thioxanthene SMILES: C1C2=CC=CC=C2SC2=CC=CC=C12

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PubChem CID	67495
CAS	261-31-4
Molecular Weight (g/mol)	198.28
ChEBI	CHEBI:51055
MDL Number	MFCD00046936
SMILES	C1C2=CC=CC=C2SC2=CC=CC=C12
Synonym	thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451
IUPAC Name	9H-thioxanthene
InChI Key	PQJUJGAVDBINPI-UHFFFAOYSA-N
Molecular Formula	C13H10S

2-Mercaptoethyl sulfide, 90%

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 IUPAC Name: 2-(2-sulfanylethylsulfanyl)ethanethiol 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
IUPAC Name	2-(2-sulfanylethylsulfanyl)ethanethiol
InChI Key	KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula	C4H10S3

Di-n-octyl sulfide, 97%

CAS: 2690-08-6 MDL Number: MFCD00009566

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Specifications

CAS	2690-08-6
MDL Number	MFCD00009566

4-(4-Thiomorpholinyl)aniline, 97%

CAS: 22589-35-1 Molecular Formula: C10H14N2S Molecular Weight (g/mol): 194.296 MDL Number: MFCD01625958 InChI Key: RQXQMUUSQGCLPL-UHFFFAOYSA-N Synonym: 4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine PubChem CID: 10774206 IUPAC Name: 4-thiomorpholin-4-ylaniline SMILES: C1CSCCN1C2=CC=C(C=C2)N

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Specifications

PubChem CID	10774206
CAS	22589-35-1
Molecular Weight (g/mol)	194.296
MDL Number	MFCD01625958
SMILES	C1CSCCN1C2=CC=C(C=C2)N
Synonym	4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine
IUPAC Name	4-thiomorpholin-4-ylaniline
InChI Key	RQXQMUUSQGCLPL-UHFFFAOYSA-N
Molecular Formula	C10H14N2S

Thioethers

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