S-(4-Chlorophenyl) 3-(4-ethoxyphenyl)-2-propenethioate
Basic information
- CAS
298217-85-3- Standard SMILES
CCOc1ccc(/C=C/C(=O)Sc2ccc(Cl)cc2)cc1- InChIKey
SLPQOTDLSRIWMG-LFYBBSHMSA-N- Molecular formula
- C17H15ClO2S
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.0481286
Names & identifiers
- Preferred name
- S-(4-Chlorophenyl) 3-(4-ethoxyphenyl)-2-propenethioate
- IUPAC
- S-(4-chlorophenyl) (E)-3-(4-ethoxyphenyl)prop-2-enethioate
Names & synonyms
298217-85-3S-(4-Chlorophenyl) 3-(4-ethoxyphenyl)-2-propenethioate(2E)-1-[(4-chlorophenyl)sulfanyl]-3-(4-ethoxyphenyl)prop-2-en-1-oneS-(4-chlorophenyl) (E)-3-(4-ethoxyphenyl)prop-2-enethioateSLPQOTDLSRIWMG-LFYBBSHMSA-NDTXSID801370248HMS1548I14AKOS005105711JS-1023AA-768/33247012S-(4-chlorophenyl) (E)-3-(4-ethoxyphenyl)-2-propenethioate2-Propenethioic acid, 3-(4-ethoxyphenyl)-, S-(4-chlorophenyl) ester
Database identifiers
- CAS
298217-85-3- PubChem CID
- 678955
- DTXSID
DTXSID801370248
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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