Basic information
- CAS
1125-92-4- Standard SMILES
c1ccc2cssscc2c1- InChIKey
UQCURUUHGLAXPO-UHFFFAOYSA-N- Molecular formula
- C8H6S3
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 197.96316371
Names & identifiers
- Preferred name
- 2,3,4-Benzotrithiepin
- IUPAC
- 2,3,4-benzotrithiepine
Names & synonyms
2,3,4-benzotrithiepin2,3,4-BenzotrithiepineDTXSID0013147831125-92-4
Database identifiers
- CAS
1125-92-4- PubChem CID
- 129682002
- DTXSID
DTXSID001314783
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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