4,7-Methanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-
Basic information
- CAS
916139-00-9- Standard SMILES
C1=CC2CC1C1CSCC21- InChIKey
FKWKBPUUCQAMPI-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597156
Names & identifiers
- Preferred name
- 4,7-Methanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-
- IUPAC
- 4-thiatricyclo[5.2.1.02,6]dec-8-ene
Names & synonyms
916139-00-9NSC1547331,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene4,7-Methanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-SCHEMBL659253DTXSID30302867NSC-154733
Database identifiers
- CAS
916139-00-9- PubChem CID
- 290645
- DTXSID
DTXSID30302867
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
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Related reactions
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Compound notes
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