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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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1

Bis(ethylenedithio)tetrathiafulvalene

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

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
2

Tetrathiafulvalene, 97%

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

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
3

3H-1,2-Benzodithiol-one 1,1-dioxide, 98%

CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O

PubChem CID 3009847
CAS 66304-01-6
Molecular Weight (g/mol) 200.226
MDL Number MFCD00132960
SMILES C1=CC=C2C(=C1)C(=O)SS2(=O)=O
IUPAC Name 1,1-dioxo-1$l^{6},2-benzodithiol-3-one
InChI Key JUDOLRSMWHVKGX-UHFFFAOYSA-N
Molecular Formula C7H4O3S2
4

Tetrathiafulvalene, 98.5%

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

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
5

Tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane salt, ≥97.0% (CHNS), MilliporeSigma™ Supelco™

MDL Number: MFCD10566936 Synonym: 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ

MDL Number MFCD10566936
Synonym 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ
6

5-Hexyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione 98.0+%, TCI America™

CAS: 202126-51-0 Molecular Formula: C10H14S5 Molecular Weight (g/mol): 294.52 MDL Number: MFCD09038526 InChI Key: RMWMTOWGAZGYGL-UHFFFAOYSA-N PubChem CID: 44629827 IUPAC Name: 5-hexyl-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione SMILES: CCCCCCC1SC2=C(S1)SC(=S)S2

PubChem CID 44629827
CAS 202126-51-0
Molecular Weight (g/mol) 294.52
MDL Number MFCD09038526
SMILES CCCCCCC1SC2=C(S1)SC(=S)S2
IUPAC Name 5-hexyl-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione
InChI Key RMWMTOWGAZGYGL-UHFFFAOYSA-N
Molecular Formula C10H14S5
7

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

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
8

3H-1,2-Benzodithiol-3-one 1,1-Dioxide 98.0+%, TCI America™

CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O

PubChem CID 3009847
CAS 66304-01-6
Molecular Weight (g/mol) 200.226
MDL Number MFCD00132960
SMILES C1=CC=C2C(=C1)C(=O)SS2(=O)=O
IUPAC Name 1,1-dioxo-1$l^{6},2-benzodithiol-3-one
InChI Key JUDOLRSMWHVKGX-UHFFFAOYSA-N
Molecular Formula C7H4O3S2
9

Bis(carbonyldithio)tetrathiafulvalene 95.0+%, TCI America™

CAS: 64394-47-4 Molecular Formula: C8O2S8 Molecular Weight (g/mol): 384.57 MDL Number: MFCD00059965 InChI Key: JVSSQMMIVZRMMO-UHFFFAOYSA-N Synonym: 2,2′C-Bis(1,3,4,6-tetrathiapentalene-5-one) PubChem CID: 11429069 IUPAC Name: 5-{5-oxo-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene}-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one SMILES: O=C1SC2=C(S1)SC(S2)=C1SC2=C(SC(=O)S2)S1

PubChem CID 11429069
CAS 64394-47-4
Molecular Weight (g/mol) 384.57
MDL Number MFCD00059965
SMILES O=C1SC2=C(S1)SC(S2)=C1SC2=C(SC(=O)S2)S1
Synonym 2,2′C-Bis(1,3,4,6-tetrathiapentalene-5-one)
IUPAC Name 5-{5-oxo-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene}-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one
InChI Key JVSSQMMIVZRMMO-UHFFFAOYSA-N
Molecular Formula C8O2S8
10

4,5-Ethylenedithio-1,3-dithiol-2-one 98.0+%, TCI America™

CAS: 74962-29-1 Molecular Formula: C5H4OS4 Molecular Weight (g/mol): 208.33 MDL Number: MFCD00137883 InChI Key: NMNDMYIFMUGDMA-UHFFFAOYSA-N PubChem CID: 610302 IUPAC Name: 2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one SMILES: O=C1SC2=C(S1)SCCS2

PubChem CID 610302
CAS 74962-29-1
Molecular Weight (g/mol) 208.33
MDL Number MFCD00137883
SMILES O=C1SC2=C(S1)SCCS2
IUPAC Name 2H,5H,6H-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
InChI Key NMNDMYIFMUGDMA-UHFFFAOYSA-N
Molecular Formula C5H4OS4
11

Malotilate 98.0+%, TCI America™

CAS: 59937-28-9 Molecular Formula: C12H16O4S2 Molecular Weight (g/mol): 288.376 MDL Number: MFCD00867646 InChI Key: YPIQVCUJEKAZCP-UHFFFAOYSA-N Synonym: Diisopropyl (1,3-Dithiol-2-ylidene)malonate, (1,3-Dithiol-2-ylidene)malonic Acid Diisopropyl Ester PubChem CID: 4006 IUPAC Name: dipropan-2-yl 2-(1,3-dithiol-2-ylidene)propanedioate SMILES: CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C

PubChem CID 4006
CAS 59937-28-9
Molecular Weight (g/mol) 288.376
MDL Number MFCD00867646
SMILES CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C
Synonym Diisopropyl (1,3-Dithiol-2-ylidene)malonate, (1,3-Dithiol-2-ylidene)malonic Acid Diisopropyl Ester
IUPAC Name dipropan-2-yl 2-(1,3-dithiol-2-ylidene)propanedioate
InChI Key YPIQVCUJEKAZCP-UHFFFAOYSA-N
Molecular Formula C12H16O4S2
12

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

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
13

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

CAS: 68550-20-9 Molecular Formula: C8H4S8 Molecular Weight (g/mol): 356.6 MDL Number: MFCD00059697 InChI Key: YAHVGMRXXZDSOK-UHFFFAOYSA-N Synonym: BMDT-TTF PubChem CID: 13740883 IUPAC Name: 5-([1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole SMILES: C1SC2=C(S1)SC(=C3SC4=C(S3)SCS4)S2

PubChem CID 13740883
CAS 68550-20-9
Molecular Weight (g/mol) 356.6
MDL Number MFCD00059697
SMILES C1SC2=C(S1)SC(=C3SC4=C(S3)SCS4)S2
Synonym BMDT-TTF
IUPAC Name 5-([1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
InChI Key YAHVGMRXXZDSOK-UHFFFAOYSA-N
Molecular Formula C8H4S8
14

Tetrakis(methylthio)tetrathiafulvalene 96.0+%, TCI America™

CAS: 51501-77-0 Molecular Formula: C10H12S8 Molecular Weight (g/mol): 388.686 MDL Number: MFCD00059747 InChI Key: LLLXUARUONPZIY-UHFFFAOYSA-N Synonym: TMT-TTF PubChem CID: 633638 IUPAC Name: 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole SMILES: CSC1=C(SC(=C2SC(=C(S2)SC)SC)S1)SC

PubChem CID 633638
CAS 51501-77-0
Molecular Weight (g/mol) 388.686
MDL Number MFCD00059747
SMILES CSC1=C(SC(=C2SC(=C(S2)SC)SC)S1)SC
Synonym TMT-TTF
IUPAC Name 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
InChI Key LLLXUARUONPZIY-UHFFFAOYSA-N
Molecular Formula C10H12S8
15

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

CAS: 158871-28-4 Molecular Formula: C9H8N2OS4 Molecular Weight (g/mol): 288.42 MDL Number: MFCD01142888 InChI Key: SIYHFUIJFJOCQE-UHFFFAOYSA-N PubChem CID: 4260353 IUPAC Name: 3-({5-[(2-cyanoethyl)sulfanyl]-2-oxo-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile SMILES: O=C1SC(SCCC#N)=C(SCCC#N)S1

PubChem CID 4260353
CAS 158871-28-4
Molecular Weight (g/mol) 288.42
MDL Number MFCD01142888
SMILES O=C1SC(SCCC#N)=C(SCCC#N)S1
IUPAC Name 3-({5-[(2-cyanoethyl)sulfanyl]-2-oxo-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile
InChI Key SIYHFUIJFJOCQE-UHFFFAOYSA-N
Molecular Formula C9H8N2OS4