Basic information
- CAS
63906-40-1- Standard SMILES
Cc1ccc(COC(=O)CS)cc1- InChIKey
GPCYSLOVWXRIDZ-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- Acetic acid, 2-mercapto-, p-xylyl ester
- IUPAC
- (4-methylphenyl)methyl 2-sulfanylacetate
Names & synonyms
USAF B-2p-Xylyl-2-thioglycolic acidACETIC ACID, 2-MERCAPTO-, p-XYLYL ESTER63906-40-1DTXSID80213570RefChem:316520DTXCID10136061(4-Methylphenyl)methyl sulfanylacetate
Database identifiers
- CAS
63906-40-1- PubChem CID
- 45146
- DTXSID
DTXSID80213570
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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