Basic information
- CAS
30911-16-1- Standard SMILES
CCSC(=O)CCc1ccccc1- InChIKey
GXNCCWSLTFATNC-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- S-ethyl 3-phenylpropanethioate
- IUPAC
- S-ethyl 3-phenylpropanethioate
Names & synonyms
S-ethyl 3-phenylpropanethioate30911-16-1SCHEMBL24359620DTXSID801328673
Database identifiers
- CAS
30911-16-1- PubChem CID
- 12373882
- DTXSID
DTXSID801328673- Nikkaji
- J951.282I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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