Basic information
- CAS
534-25-8- Standard SMILES
S=c1ccss1- InChIKey
LZENMJMJWQSSNJ-UHFFFAOYSA-N- Molecular formula
- C3H2S3
- Average molar mass
- 134.3 g/mol
- Monoisotopic mass
- 133.93186358
Overview
3H-1,2-dithiole-3-thione is a 1,2-dithiole.
Names & identifiers
- Preferred name
- 1,2-Dithiole-3-Thione
- IUPAC
- dithiole-3-thione
- English name
- 3H-1,2-Dithiole-3-thione
- Molecular formula
- C3H2S3
- Molecular weight
- 134.24
Names & synonyms
3H-1,2-Dithiole-3-thione534-25-81,2-Dithiole-3-thione1,2-Dithiol-3-thioneWT2QF220RRJ150.687KDTXSID7037052CHEBI:50866D3T compoundRefChem:906759DTXCID5017052208-595-0
Show more names
dithiole-3-thioneDITHIOLETHIONE1,2-dithiolene-3-thioneEINECS 208-595-0UNII-WT2QF220RRorb320849SCHEMBL362931SPECTRUM1505015
Database identifiers
- CAS
534-25-8- PubChem CID
- 68296
- DTXSID
DTXSID7037052- ChEMBL
CHEMBL368700- ChEBI
CHEBI:50866- UNII
- WT2QF220RR
- EC Number
- 208-595-0
- Nikkaji
- J150.687K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 94.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
LogP
1.58
1.58
Melting Point81 - 82 °C
Physical DescriptionSolid
Collision Cross Section120.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 79 · 79-81°C
- Boiling point
- 47 °C · 47 °C(Press: 0.1 Torr)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Red to Very Dark Brown
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Cellular LocationsCytoplasm
Applications
UsesA chemoprotective chemical. It is known to induce detoxication enzymes and inhibit chemica-induced tumors in multiple tissues.
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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