Basic information
- Standard SMILES
CCCC(=O)c1cccc2sccc12- InChIKey
PEKAZQOJKAPMRP-UHFFFAOYSA-N- Molecular formula
- C12H12OS
- Average molar mass
- 204.29 g/mol
Names & identifiers
- Preferred name
- 1-(Benzo[b]thiophen-4-yl)butan-1-one
- IUPAC
- 1-(1-benzothiophen-4-yl)butan-1-one
Names & synonyms
SCHEMBL6327050PEKAZQOJKAPMRP-UHFFFAOYSA-N1-(benzo[b]thiophen-4-yl)butan-1-one1-(benzo[b]thiophen-4-yl)-3-methylpropan-1-one
Database identifiers
- PubChem CID
- 22473665
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
4 records
Compound notes
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