Basic information
- Standard SMILES
CCCC1CCc2sccc2C1=O- InChIKey
GPUULDMGPYAAEW-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
Names & identifiers
- Preferred name
- 5-propyl-6,7-dihydro-1-benzothiophen-4(5H)-one
- IUPAC
- 5-propyl-6,7-dihydro-5H-1-benzothiophen-4-one
Names & synonyms
5-propyl-6,7-dihydro-1-benzothiophen-4(5H)-oneSCHEMBL3842816GPUULDMGPYAAEW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22147491
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Related reactions
11 records
Compound notes
Loading…