Basic information
- CAS
18648-91-4- Standard SMILES
Cc1ssc(=S)c1-c1ccccc1- InChIKey
DATSIWHAJPBMLE-UHFFFAOYSA-N- Molecular formula
- C10H8S3
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 223.97881378
Names & identifiers
- Preferred name
- 4-Phenyl-5-methyl-1,2-dithiole-3-thione
- IUPAC
- 5-methyl-4-phenyldithiole-3-thione
Names & synonyms
18648-91-4DTXSID608762284-Phenyl-5-methyl-1,2-dithiole-3-thioneRefChem:295492DTXCID5010143365-methyl-4-phenyl-3H-1,2-dithiole-3-thione5-methyl-4-phenyldithiole-3-thioneCCG-2064STK741674AKOS001751897ST40476885-methyl-4-phenyl-1,2-dithiolene-3-thione
Show more names
SR-01000525050SR-01000525050-1
Database identifiers
- CAS
18648-91-4- PubChem CID
- 700280
- DTXSID
DTXSID60876228- Nikkaji
- J687.652H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
LogP3.17
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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