Ethyl 2-cyano-3-(4-sulfanylphenyl)prop-2-enoate
Basic information
- CAS
921927-48-2- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(S)cc1- InChIKey
ZPJSGGUAHPUEAR-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(4-sulfanylphenyl)prop-2-enoate
- IUPAC
- ethyl 2-cyano-3-(4-sulfanylphenyl)prop-2-enoate
Names & synonyms
Ethyl 2-cyano-3-(4-sulfanylphenyl)prop-2-enoate921927-48-2DTXSID30841029
Database identifiers
- CAS
921927-48-2- PubChem CID
- 71421985
- DTXSID
DTXSID30841029
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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