Basic information
- CAS
63244-50-8- Standard SMILES
Cc1ccc(=O)c2ccsc2c1- InChIKey
IIJTWTQNHRADAI-UHFFFAOYSA-N- Molecular formula
- C10H8OS
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.02958605
Names & identifiers
- Preferred name
- 7-Methyl-4H-cyclohepta[b]thiophen-4-one
- IUPAC
- 7-methylcyclohepta[b]thiophen-4-one
Names & synonyms
63244-50-8NSC2947457-Methyl-4H-cyclohepta[b]thiophen-4-oneDTXSID70315456NSC-294745
Database identifiers
- CAS
63244-50-8- PubChem CID
- 325652
- DTXSID
DTXSID70315456
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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