Basic information
- CAS
53573-32-3- Standard SMILES
CCCCSC(=O)CCc1ccccc1- InChIKey
NYCYCJDPXDKGBG-UHFFFAOYSA-N- Molecular formula
- C13H18OS
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.10783637
Names & identifiers
- Preferred name
- S-butyl 3-phenylpropanethioate
- IUPAC
- S-butyl 3-phenylpropanethioate
Names & synonyms
S-butyl 3-phenylpropanethioate53573-32-3DTXSID304949733-phenyl-propanethioic acid S-butyl ester
Database identifiers
- CAS
53573-32-3- PubChem CID
- 12373881
- DTXSID
DTXSID30494973
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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