Basic information
- Standard SMILES
CC(=O)SC/C(=C/c1ccccc1)C(=O)O- InChIKey
DTHYHTBJUYIRAM-XFFZJAGNSA-N- Molecular formula
- C12H12O3S
- Average molar mass
- 236.29 g/mol
Names & identifiers
- Preferred name
- (E)-2-acetylthiomethyl-3-phenylpropenoic acid
- IUPAC
- (E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoic acid
Names & synonyms
SCHEMBL8054599DTHYHTBJUYIRAM-XFFZJAGNSA-N(E)-2-acetylthiomethyl-3-phenylpropenoic acid
Database identifiers
- PubChem CID
- 86750583
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
6 records
Compound notes
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