4-methyl-5-phenyl-3H-1,2-dithiole-3-thione
Basic information
- CAS
10269-25-7- Standard SMILES
Cc1c(-c2ccccc2)ssc1=S- InChIKey
AXJOQACGPIOTKY-UHFFFAOYSA-N- Molecular formula
- C10H8S3
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 223.97881378
Names & identifiers
- Preferred name
- 4-methyl-5-phenyl-3H-1,2-dithiole-3-thione
- IUPAC
- 4-methyl-5-phenyldithiole-3-thione
Names & synonyms
4-methyl-5-phenyl-3H-1,2-dithiole-3-thione4-Methyl-5-phenyl-3H-1,2-dithiol-3-thione10269-25-7SCHEMBL6904280DTXSID0010249064-methyl-5-phenyldithiole-3-thione
Database identifiers
- CAS
10269-25-7- PubChem CID
- 10105053
- DTXSID
DTXSID001024906- Nikkaji
- J579.734I
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
LogP3.95
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Compound notes
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