3-Chloro-1-(3-thienyl)-1-propanone
Basic information
- Standard SMILES
O=C(CCCl)c1ccsc1- InChIKey
BTKJBHBWZDXLNP-UHFFFAOYSA-N- Molecular formula
- C7H7ClOS
- Average molar mass
- 174.65 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-1-(3-thienyl)-1-propanone
- IUPAC
- 3-chloro-1-thiophen-3-ylpropan-1-one
Names & synonyms
3-Chloro-1-(3-thienyl)-1-propanoneSCHEMBL6050383BTKJBHBWZDXLNP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22489902
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Related reactions
2 records
Compound notes
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