Basic information
- CAS
87792-25-4- Standard SMILES
O=C(O)CSC(CO)c1ccccc1- InChIKey
MEKMDLMJEMUFQC-UHFFFAOYSA-N- Molecular formula
- C10H12O3S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.05071541
Names & identifiers
- Preferred name
- [(2-Hydroxy-1-phenylethyl)sulfanyl]acetic acid
- IUPAC
- 2-(2-hydroxy-1-phenylethyl)sulfanylacetic acid
Names & synonyms
87792-25-4[(2-hydroxy-1-phenylethyl)sulfanyl]acetic acidAcetic acid, 2-((2-hydroxy-1-phenylethyl)thio)-DTXSID901007793
Database identifiers
- CAS
87792-25-4- PubChem CID
- 190087
- DTXSID
DTXSID901007793
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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