2-Hydroxy-3-(4-methylbenzene-1-sulfinyl)propyl acetate
Basic information
- CAS
50921-24-9- Standard SMILES
CC(=O)OCC(O)CS(=O)c1ccc(C)cc1- InChIKey
NPUSVVAWIRPEGC-UHFFFAOYSA-N- Molecular formula
- C12H16O4S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.07692999
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(4-methylbenzene-1-sulfinyl)propyl acetate
- IUPAC
- [2-hydroxy-3-(4-methylphenyl)sulfinylpropyl] acetate
Names & synonyms
50921-24-9DTXSID003162192-Hydroxy-3-(4-methylbenzene-1-sulfinyl)propyl acetateRefChem:261648DTXCID90267342NSC300911NSC-300911
Database identifiers
- CAS
50921-24-9- PubChem CID
- 327159
- DTXSID
DTXSID00316219
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…