Dithioles

Organosulfur heterocyclic compounds that consist of a five-membered ring with two sulfur atoms, three carbon atoms, and a carbon - carbon double bond.

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Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate 98.0+%, TCI America™

CAS: 7396-41-0 Molecular Formula: C7H6O4S3 Molecular Weight (g/mol): 250.301 MDL Number: MFCD00142532 InChI Key: UZKKFHMMXWDIPD-UHFFFAOYSA-N Synonym: Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate, 1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester PubChem CID: 547914 IUPAC Name: dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate SMILES: COC(=O)C1=C(SC(=S)S1)C(=O)OC

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Specifications

PubChem CID	547914
CAS	7396-41-0
Molecular Weight (g/mol)	250.301
MDL Number	MFCD00142532
SMILES	COC(=O)C1=C(SC(=S)S1)C(=O)OC
Synonym	Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate, 1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester
IUPAC Name	dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
InChI Key	UZKKFHMMXWDIPD-UHFFFAOYSA-N
Molecular Formula	C7H6O4S3

Tetrathiafulvalene, 99+%, Thermo Scientific Chemicals

CAS: 31366-25-3 Molecular Formula: C₆H₄S₄ Molecular Weight (g/mol): 204.34 MDL Number: MFCD00005492 InChI Key: FHCPAXDKURNIOZ-UHFFFAOYSA-N Synonym: tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole PubChem CID: 99451 ChEBI: CHEBI:52444 IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole SMILES: C1=CSC(=C2SC=CS2)S1

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Specifications

PubChem CID	99451
CAS	31366-25-3
Molecular Weight (g/mol)	204.34
ChEBI	CHEBI:52444
MDL Number	MFCD00005492
SMILES	C1=CSC(=C2SC=CS2)S1
Synonym	tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole
IUPAC Name	2-(1,3-dithiol-2-ylidene)-1,3-dithiole
InChI Key	FHCPAXDKURNIOZ-UHFFFAOYSA-N
Molecular Formula	C₆H₄S₄

Bis(ethylenedithio)tetrathiafulvalene, Thermo Scientific Chemicals

CAS: 66946-48-3 Molecular Formula: C10H8S8 Molecular Weight (g/mol): 384.65 MDL Number: MFCD00059710 InChI Key: LZJCVNLYDXCIBG-UHFFFAOYSA-N Synonym: bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine PubChem CID: 633432 IUPAC Name: 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine SMILES: C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1

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Specifications

PubChem CID	633432
CAS	66946-48-3
Molecular Weight (g/mol)	384.65
MDL Number	MFCD00059710
SMILES	C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1
Synonym	bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine
IUPAC Name	2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
InChI Key	LZJCVNLYDXCIBG-UHFFFAOYSA-N
Molecular Formula	C10H8S8

Tetrathiafulvalene, 97%, Thermo Scientific Chemicals

CAS: 31366-25-3 Molecular Formula: C6H4S4 Molecular Weight (g/mol): 204.338 MDL Number: MFCD00005492 InChI Key: FHCPAXDKURNIOZ-UHFFFAOYSA-N Synonym: tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole PubChem CID: 99451 ChEBI: CHEBI:52444 IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole SMILES: C1=CSC(=C2SC=CS2)S1

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Specifications

PubChem CID	99451
CAS	31366-25-3
Molecular Weight (g/mol)	204.338
ChEBI	CHEBI:52444
MDL Number	MFCD00005492
SMILES	C1=CSC(=C2SC=CS2)S1
Synonym	tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole
IUPAC Name	2-(1,3-dithiol-2-ylidene)-1,3-dithiole
InChI Key	FHCPAXDKURNIOZ-UHFFFAOYSA-N
Molecular Formula	C6H4S4

4,5-Methylenedithio-1,3-dithiole-2-thione 98.0+%, TCI America™

CAS: 70800-59-8 Molecular Formula: C4H2S5 Molecular Weight (g/mol): 210.36 MDL Number: MFCD00137884 InChI Key: NFKGILAHEQYFBG-UHFFFAOYSA-N PubChem CID: 5247527 IUPAC Name: [1,3]dithiolo[4,5-d][1,3]dithiole-5-thione SMILES: C1SC2=C(S1)SC(=S)S2

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Specifications

PubChem CID	5247527
CAS	70800-59-8
Molecular Weight (g/mol)	210.36
MDL Number	MFCD00137884
SMILES	C1SC2=C(S1)SC(=S)S2
IUPAC Name	[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
InChI Key	NFKGILAHEQYFBG-UHFFFAOYSA-N
Molecular Formula	C4H2S5

4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione 98.0+%, TCI America™

CAS: 132765-35-6 Molecular Formula: C9H8N2S5 Molecular Weight (g/mol): 304.477 MDL Number: MFCD01096160 InChI Key: DRMGXZWMQXEMKB-UHFFFAOYSA-N PubChem CID: 2818208 IUPAC Name: 3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile SMILES: C(CSC1=C(SC(=S)S1)SCCC#N)C#N

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Specifications

PubChem CID	2818208
CAS	132765-35-6
Molecular Weight (g/mol)	304.477
MDL Number	MFCD01096160
SMILES	C(CSC1=C(SC(=S)S1)SCCC#N)C#N
IUPAC Name	3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile
InChI Key	DRMGXZWMQXEMKB-UHFFFAOYSA-N
Molecular Formula	C9H8N2S5

1,3-Benzodithiolylium Tetrafluoroborate 96.0+%, TCI America™

CAS: 57842-27-0 Molecular Formula: C7H5BF4S2 Molecular Weight (g/mol): 240.041 MDL Number: MFCD00070613 InChI Key: CUSWPJQKCZMDPY-UHFFFAOYSA-N Synonym: 1,3-benzodithiolylium tetrafluoroborate,benzo d 1,3 dithiol-1-ium tetrafluoroborate,1,3-benzodithiolium tetrafluoroborate,1,3-benzodithiol-3-ium tetrafluoroborate,1,3-benzodithiol-2-ylium tetrafluoroborate,1??,3-benzodithiol-1-ylium tetrafluoroborate,2h-1,3-benzodithiol-2-ylium tetrafluoroborate,c7h5s2.bf4,1,3-benzolithiolylium tetrafluoroborate PubChem CID: 2735971 IUPAC Name: 1,3-benzodithiol-3-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C1=CC=C2C(=C1)SC=[S+]2

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Specifications

PubChem CID	2735971
CAS	57842-27-0
Molecular Weight (g/mol)	240.041
MDL Number	MFCD00070613
SMILES	[B-](F)(F)(F)F.C1=CC=C2C(=C1)SC=[S+]2
Synonym	1,3-benzodithiolylium tetrafluoroborate,benzo d 1,3 dithiol-1-ium tetrafluoroborate,1,3-benzodithiolium tetrafluoroborate,1,3-benzodithiol-3-ium tetrafluoroborate,1,3-benzodithiol-2-ylium tetrafluoroborate,1??,3-benzodithiol-1-ylium tetrafluoroborate,2h-1,3-benzodithiol-2-ylium tetrafluoroborate,c7h5s2.bf4,1,3-benzolithiolylium tetrafluoroborate
IUPAC Name	1,3-benzodithiol-3-ium;tetrafluoroborate
InChI Key	CUSWPJQKCZMDPY-UHFFFAOYSA-N
Molecular Formula	C7H5BF4S2

4,5-Bis(methylthio)-1,3-dithiole-2-thione 98.0+%, TCI America™

CAS: 49638-64-4 Molecular Formula: C5H6S5 Molecular Weight (g/mol): 226.403 MDL Number: MFCD00137888 InChI Key: HOFVXSUZSDYZSA-UHFFFAOYSA-N PubChem CID: 362959 IUPAC Name: 4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione SMILES: CSC1=C(SC(=S)S1)SC

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Specifications

PubChem CID	362959
CAS	49638-64-4
Molecular Weight (g/mol)	226.403
MDL Number	MFCD00137888
SMILES	CSC1=C(SC(=S)S1)SC
IUPAC Name	4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione
InChI Key	HOFVXSUZSDYZSA-UHFFFAOYSA-N
Molecular Formula	C5H6S5

Bis(ethylenedithio)tetrathiafulvalene [Organic Electronic Material], TCI America™

CAS: 66946-48-3 Molecular Formula: C10H8S8 Molecular Weight (g/mol): 384.65 MDL Number: MFCD00059710 InChI Key: LZJCVNLYDXCIBG-UHFFFAOYSA-N Synonym: bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine PubChem CID: 633432 IUPAC Name: 2-{2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene}-2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiine SMILES: C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1

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Specifications

PubChem CID	633432
CAS	66946-48-3
Molecular Weight (g/mol)	384.65
MDL Number	MFCD00059710
SMILES	C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1
Synonym	bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine
IUPAC Name	2-{2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene}-2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiine
InChI Key	LZJCVNLYDXCIBG-UHFFFAOYSA-N
Molecular Formula	C10H8S8

4-Propylbenzoic acid, 97%, Thermo Scientific™

CAS: 2438-05-3 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00013996 InChI Key: ATZHGRNFEFVDDJ-UHFFFAOYSA-M ChEBI: CHEBI:34620

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Specifications

CAS	2438-05-3
Molecular Weight (g/mol)	164.2
ChEBI	CHEBI:34620
MDL Number	MFCD00013996
InChI Key	ATZHGRNFEFVDDJ-UHFFFAOYSA-M
Molecular Formula	C₁₀H₁₂O₂

Dimethyl 2-(1,3-Dithiole)phosphonate 97.0+%, TCI America™

CAS: 133113-76-5 Molecular Formula: C5H9O3PS2 Molecular Weight (g/mol): 212.218 InChI Key: ZQRMTDYBPMYORJ-UHFFFAOYSA-N Synonym: 2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester PubChem CID: 10921801 IUPAC Name: 2-dimethoxyphosphoryl-1,3-dithiole SMILES: COP(=O)(C1SC=CS1)OC

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Specifications

PubChem CID	10921801
CAS	133113-76-5
Molecular Weight (g/mol)	212.218
SMILES	COP(=O)(C1SC=CS1)OC
Synonym	2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester
IUPAC Name	2-dimethoxyphosphoryl-1,3-dithiole
InChI Key	ZQRMTDYBPMYORJ-UHFFFAOYSA-N
Molecular Formula	C5H9O3PS2

4,5-Ethylenedithio-1,3-dithiole-2-thione 98.0+%, TCI America™

CAS: 59089-89-3 Molecular Formula: C5H4S5 Molecular Weight (g/mol): 224.387 MDL Number: MFCD00137882 InChI Key: LFPIFRGVCYRUEO-UHFFFAOYSA-N PubChem CID: 360963 IUPAC Name: 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione SMILES: C1CSC2=C(S1)SC(=S)S2

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Specifications

PubChem CID	360963
CAS	59089-89-3
Molecular Weight (g/mol)	224.387
MDL Number	MFCD00137882
SMILES	C1CSC2=C(S1)SC(=S)S2
IUPAC Name	5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
InChI Key	LFPIFRGVCYRUEO-UHFFFAOYSA-N
Molecular Formula	C5H4S5

4,5-Methylenedithio-1,3-dithiol-2-one 95.0+%, TCI America™

CAS: 85720-62-3 Molecular Formula: C4H2OS4 Molecular Weight (g/mol): 194.299 MDL Number: MFCD00137885 InChI Key: VBZVKFOMXXSGFB-UHFFFAOYSA-N PubChem CID: 2060090 IUPAC Name: [1,3]dithiolo[4,5-d][1,3]dithiol-5-one SMILES: C1SC2=C(S1)SC(=O)S2

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Specifications

PubChem CID	2060090
CAS	85720-62-3
Molecular Weight (g/mol)	194.299
MDL Number	MFCD00137885
SMILES	C1SC2=C(S1)SC(=O)S2
IUPAC Name	[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
InChI Key	VBZVKFOMXXSGFB-UHFFFAOYSA-N
Molecular Formula	C4H2OS4

PubChem CID	99451
CAS	31366-25-3
Molecular Weight (g/mol)	204.338
ChEBI	CHEBI:52444
MDL Number	MFCD00005492
SMILES	C1=CSC(=C2SC=CS2)S1
Synonym	tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole
IUPAC Name	2-(1,3-dithiol-2-ylidene)-1,3-dithiole
InChI Key	FHCPAXDKURNIOZ-UHFFFAOYSA-N
Molecular Formula	C6H4S4

Tetrathiafulvalene (purified by sublimation) 99.0+%, TCI America™

Pricing & Availability
Specifications

PubChem CID	99451
CAS	31366-25-3
Molecular Weight (g/mol)	204.338
ChEBI	CHEBI:52444
MDL Number	MFCD00005492
SMILES	C1=CSC(=C2SC=CS2)S1
Synonym	tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole
IUPAC Name	2-(1,3-dithiol-2-ylidene)-1,3-dithiole
InChI Key	FHCPAXDKURNIOZ-UHFFFAOYSA-N
Molecular Formula	C6H4S4

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