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

(Benzylthio)acetone, 98%, Thermo Scientific Chemicals

CAS: 10230-69-0 Molecular Formula: C10H12OS Molecular Weight (g/mol): 180.265 MDL Number: MFCD00026241 InChI Key: OIEDQMIEPJIRFT-UHFFFAOYSA-N Synonym: 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone PubChem CID: 82472 IUPAC Name: 1-benzylsulfanylpropan-2-one SMILES: CC(=O)CSCC1=CC=CC=C1

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PubChem CID	82472
CAS	10230-69-0
Molecular Weight (g/mol)	180.265
MDL Number	MFCD00026241
SMILES	CC(=O)CSCC1=CC=CC=C1
Synonym	1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone
IUPAC Name	1-benzylsulfanylpropan-2-one
InChI Key	OIEDQMIEPJIRFT-UHFFFAOYSA-N
Molecular Formula	C10H12OS

Azathioprine, USP, 98-102%, Spectrum™ Chemical

CAS: 446-86-6 Molecular Formula: C9H7N7O2S Molecular Weight (g/mol): 277.26 InChI Key: LMEKQMALGUDUQG-UHFFFAOYSA-N IUPAC Name: 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine SMILES: CN1C=NC(=C1SC1=C2NC=NC2=NC=N1)[N+]([O-])=O

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CAS	446-86-6
Molecular Weight (g/mol)	277.26
SMILES	CN1C=NC(=C1SC1=C2NC=NC2=NC=N1)[N+]([O-])=O
IUPAC Name	6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
InChI Key	LMEKQMALGUDUQG-UHFFFAOYSA-N
Molecular Formula	C9H7N7O2S

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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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

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

3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%, Thermo Scientific Chemicals

CAS: 72760-85-1 Molecular Formula: C5H6N4S Molecular Weight (g/mol): 154.191 MDL Number: MFCD00052745 InChI Key: IUVUVQGOSHLPJV-UHFFFAOYSA-N Synonym: 3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile PubChem CID: 736200 IUPAC Name: 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile SMILES: CSC1=NNC(=C1C#N)N

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PubChem CID	736200
CAS	72760-85-1
Molecular Weight (g/mol)	154.191
MDL Number	MFCD00052745
SMILES	CSC1=NNC(=C1C#N)N
Synonym	3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile
IUPAC Name	5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI Key	IUVUVQGOSHLPJV-UHFFFAOYSA-N
Molecular Formula	C5H6N4S

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

Dimethyl sulfide, 99+%

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 SMILES: CSC

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

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

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

Thermo Scientific Chemicals Triclabendazole, 98%

CAS: 68786-66-3 Molecular Formula: C₁₄H₉Cl₃N₂OS Molecular Weight (g/mol): 359.66 InChI Key: NQPDXQQQCQDHHW-UHFFFAOYSA-N Synonym: triclabendazole,fasinex,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-1h-benzo d imidazole,triclabendazol inn-spanish,triclabendazolum inn-latin,ccris 8988,5-chloro-6-2,3-dichlorophenoxy-2-methylthio-1h-benzimidazole,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-benzimidazole,5-chloro-6-2,3-dichlorophenoxy-2-methylthio benzimidazole,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-1h-benzimidazole PubChem CID: 50248 IUPAC Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole SMILES: CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl

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PubChem CID	50248
CAS	68786-66-3
Molecular Weight (g/mol)	359.66
SMILES	CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
Synonym	triclabendazole,fasinex,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-1h-benzo d imidazole,triclabendazol inn-spanish,triclabendazolum inn-latin,ccris 8988,5-chloro-6-2,3-dichlorophenoxy-2-methylthio-1h-benzimidazole,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-benzimidazole,5-chloro-6-2,3-dichlorophenoxy-2-methylthio benzimidazole,6-chloro-5-2,3-dichlorophenoxy-2-methylthio-1h-benzimidazole
IUPAC Name	6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
InChI Key	NQPDXQQQCQDHHW-UHFFFAOYSA-N
Molecular Formula	C₁₄H₉Cl₃N₂OS

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

Tetrahydrothiophene, 98%

CAS: 110-01-0 Molecular Formula: C4H8S Molecular Weight (g/mol): 88.17 MDL Number: MFCD00005476 InChI Key: RAOIDOHSFRTOEL-UHFFFAOYSA-N Synonym: tetrahydrothiophene,thiophene, tetrahydro,thiophane,thiacyclopentane,tetramethylene sulfide,thilane,tetrahydrothiophen,pennodorant 1013,thiofan,thiolan PubChem CID: 1127 ChEBI: CHEBI:48458 IUPAC Name: thiolane SMILES: C1CCSC1

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PubChem CID	1127
CAS	110-01-0
Molecular Weight (g/mol)	88.17
ChEBI	CHEBI:48458
MDL Number	MFCD00005476
SMILES	C1CCSC1
Synonym	tetrahydrothiophene,thiophene, tetrahydro,thiophane,thiacyclopentane,tetramethylene sulfide,thilane,tetrahydrothiophen,pennodorant 1013,thiofan,thiolan
IUPAC Name	thiolane
InChI Key	RAOIDOHSFRTOEL-UHFFFAOYSA-N
Molecular Formula	C4H8S

Ethyl (methylthio)acetate, 98%

CAS: 4455-13-4 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.193 MDL Number: MFCD00009182 InChI Key: MDIAKIHKBBNYHF-UHFFFAOYSA-N Synonym: ethyl methylthio acetate,ethyl 2-methylthio acetate,acetic acid, methylthio-, ethyl ester,ethyl 2-methylthio-acetate,ethyl 2-methylsulfanyl acetate,unii-6148qqn25t,ethyl alpha-methylthio acetate,methylthio acetic acid ethyl ester,ethyl .alpha. methylthio acetate,methylsulfanyl-acetic acid ethyl ester PubChem CID: 78199 IUPAC Name: ethyl 2-methylsulfanylacetate SMILES: CCOC(=O)CSC

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PubChem CID	78199
CAS	4455-13-4
Molecular Weight (g/mol)	134.193
MDL Number	MFCD00009182
SMILES	CCOC(=O)CSC
Synonym	ethyl methylthio acetate,ethyl 2-methylthio acetate,acetic acid, methylthio-, ethyl ester,ethyl 2-methylthio-acetate,ethyl 2-methylsulfanyl acetate,unii-6148qqn25t,ethyl alpha-methylthio acetate,methylthio acetic acid ethyl ester,ethyl .alpha. methylthio acetate,methylsulfanyl-acetic acid ethyl ester
IUPAC Name	ethyl 2-methylsulfanylacetate
InChI Key	MDIAKIHKBBNYHF-UHFFFAOYSA-N
Molecular Formula	C5H10O2S

Epithiochlorohydrine, 97%

CAS: 3221-15-6 Molecular Formula: C₃H₅ClS Molecular Weight (g/mol): 108.59 MDL Number: MFCD00041199 InChI Key: XRWMHJJHPQTTLQ-UHFFFAOYSA-N Synonym: 2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide PubChem CID: 18588 IUPAC Name: 2-(chloromethyl)thiirane SMILES: C1C(S1)CCl

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PubChem CID	18588
CAS	3221-15-6
Molecular Weight (g/mol)	108.59
MDL Number	MFCD00041199
SMILES	C1C(S1)CCl
Synonym	2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide
IUPAC Name	2-(chloromethyl)thiirane
InChI Key	XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Molecular Formula	C₃H₅ClS

Thioethers

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Azathioprine, USP, 98-102%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Azathioprine, USP, 98-102%, Spectrum™ Chemical