4-Methylthio-2-acetoxybenzoic acid
Basic information
- Standard SMILES
CSc1ccc(C(=O)O)c(OC(C)=O)c1- InChIKey
JMMYSXZIHGYNSH-UHFFFAOYSA-N- Molecular formula
- C10H10O4S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.02997997
Names & identifiers
- Preferred name
- 4-Methylthio-2-acetoxybenzoic acid
- IUPAC
- 2-acetyloxy-4-methylsulfanylbenzoic acid
Names & synonyms
SCHEMBL4271102JMMYSXZIHGYNSH-UHFFFAOYSA-N4-Methylthio-2-acetoxybenzoic acid
Database identifiers
- PubChem CID
- 57936622
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
1 records
Compound notes
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