Basic information
- CAS
54532-94-4- Standard SMILES
CCOC(=O)C(Cc1ccccc1)Sc1ccccc1- InChIKey
ZEHMOEIYIKKMDI-UHFFFAOYSA-N- Molecular formula
- C17H18O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.10275099
Names & identifiers
- Preferred name
- Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate
- IUPAC
- ethyl 3-phenyl-2-phenylsulfanylpropanoate
Names & synonyms
ethyl 3-phenyl-2-(phenylsulfanyl)propanoate54532-94-4DTXSID00292822RefChem:343531DTXCID30243963NSC85716NCIOpen2_004905NSC-85716
Database identifiers
- CAS
54532-94-4- PubChem CID
- 257580
- DTXSID
DTXSID00292822- Nikkaji
- J589.277E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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