Basic information
- CAS
3354-37-8- Standard SMILES
S=c1sscc1-c1ccccc1- InChIKey
UKPKVVDYQDZSTL-UHFFFAOYSA-N- Molecular formula
- C9H6S3
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 209.96316371
Names & identifiers
- Preferred name
- 4-Phenyl-3H-1,2-dithiole-3-thione
- IUPAC
- 4-phenyldithiole-3-thione
- English name
- 4-PHENYL-3H-1,2-DITHIOLE-3-THIONE
- Molecular formula
- C9H6S3
- Molecular weight
- 210.34
Names & synonyms
4-Phenyl-3H-1,2-dithiole-3-thione4-PhenyltrithioneCaswell No. 655B3H-1,2-Dithiole-3-thione, 4-phenyl-EPA Pesticide Chemical Code 598900DTXSID9041526NSC 41554RefChem:100357DTXCID7021526UKPKVVDYQDZSTL-UHFFFAOYSA-N3354-37-84-phenyldithiole-3-thione
Show more names
NSC41554MLS002608324NSC-415544-PHENYL-1,2-DITHIOLE-3-THIONE4-Phenyl-[1,2]dithiole-3-thione3H-1, 4-phenyl-TimTec1_005772CHEMBL182248
Database identifiers
- CAS
3354-37-8- PubChem CID
- 76882
- DTXSID
DTXSID9041526- ChEMBL
CHEMBL182248- UNII
- V6RB477R5H
- Nikkaji
- J132.881F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
LogP3.2
Physicochemical properties
- FDA UNII
- 6 RB477R5H · V6RB477R5H
- EPA Substance Registry System
- 4 · 4-Phenyl-3H-1,2-dithiole-3-thione (3354-37-8)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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