Basic information
- Standard SMILES
CC1Cc2ccccc2C(=O)c2ccsc21- InChIKey
OVONRRFYPDFETD-UHFFFAOYSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
Names & identifiers
- Preferred name
- 9,10-dihydro-10-methyl-4H-benzo[4,5]cyclohepta-[1,2-b]thiophen-4-one
- IUPAC
- 8-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
Names & synonyms
SCHEMBL11491611OVONRRFYPDFETD-UHFFFAOYSA-N9,10-dihydro-10-methyl-4H-benzo[4,5]cyclohepta-[1,2-b]thiophen-4-one
Database identifiers
- PubChem CID
- 23341835
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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