(3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
Basic information
- CAS
86239-19-2- Standard SMILES
CCC1=C/C(=C/c2ccc(Cl)cc2)C(=O)S1- InChIKey
PYKJBMJCTMKQML-YFHOEESVSA-N- Molecular formula
- C13H11ClOS
- Average molar mass
- 250.74 g/mol
- Monoisotopic mass
- 250.0219138
Names & identifiers
- Preferred name
- (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
- IUPAC
- (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
Names & synonyms
NSC24339386239-19-2DTXSID90420359NSC-243393(3Z)-3-[(4-Chlorophenyl)methylidene]-5-ethylthiophen-2(3H)-one
Database identifiers
- CAS
86239-19-2- PubChem CID
- 5476554
- DTXSID
DTXSID90420359
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…