Basic information
- Standard SMILES
CCC1CCc2sccc2C1=O- InChIKey
CXCZXWGFBFTZCL-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
Names & identifiers
- Preferred name
- 5-ethyl-6,7-dihydro-1-benzothiophen-4(5H)-one
- IUPAC
- 5-ethyl-6,7-dihydro-5H-1-benzothiophen-4-one
Names & synonyms
5-ethyl-6,7-dihydro-1-benzothiophen-4(5H)-oneSCHEMBL6100478CXCZXWGFBFTZCL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22147284
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
5 records
Compound notes
Loading…