3a,7a-Methano-1-benzothiophene
Basic information
- CAS
90970-08-4- Standard SMILES
C1=CC23C=CSC2(C=C1)C3- InChIKey
XAUOENHUJAAAOC-UHFFFAOYSA-N- Molecular formula
- C9H8S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.03467143
Names & identifiers
- Preferred name
- 3a,7a-Methano-1-benzothiophene
- IUPAC
- 7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
Names & synonyms
3a,7a-Methano-1-benzothiophene90970-08-4DTXSID40533180RefChem:282860DTXCID90483969
Database identifiers
- CAS
90970-08-4- PubChem CID
- 13266366
- DTXSID
DTXSID40533180
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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