4,7-Methanobenzotrithiole,hexahydro-,(3aR,4S,7R,7aS)-rel-(9CI)
Basic information
- CAS
23657-27-4- Standard SMILES
C1C[C@@H]2C[C@H]1[C@H]1SSS[C@@H]21- InChIKey
SBQNMCWSECNNTA-RNGGSSJXSA-N- Molecular formula
- C7H10S3
- Average molar mass
- 190.4 g/mol
- Monoisotopic mass
- 189.99446384
Names & identifiers
- Preferred name
- 4,7-Methanobenzotrithiole,hexahydro-,(3aR,4S,7R,7aS)-rel-(9CI)
- IUPAC
- (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
Names & synonyms
4,7-Methanobenzotrithiole,hexahydro-,(3aR,4S,7R,7aS)-rel-(9CI)
Database identifiers
- CAS
23657-27-4- PubChem CID
- 90226
- Nikkaji
- J991.299A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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