(3Z)-5-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]thiophen-2-one
Basic information
- CAS
60466-78-6- Standard SMILES
CCC1=C/C(=C/c2cccc(OC)c2O)C(=O)S1- InChIKey
LDTGZXZTOMJQSO-YFHOEESVSA-N- Molecular formula
- C14H14O3S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.06636548
Names & identifiers
- Preferred name
- (3Z)-5-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]thiophen-2-one
- IUPAC
- (3Z)-5-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]thiophen-2-one
Names & synonyms
NSC24339160466-78-6DTXSID30420358NSC-243391(3Z)-5-Ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]thiophen-2(3H)-one
Database identifiers
- CAS
60466-78-6- PubChem CID
- 5476552
- DTXSID
DTXSID30420358
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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