Completing data — usually done within a minute
Basic information
- CAS
14143-27-2- Standard SMILES
CSc1ccc(OC(C)=O)cc1C- InChIKey
DVMLSOIBVZINOH-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580062
Names & identifiers
- Preferred name
- (3-Methyl-4-methylsulfanylphenyl) acetate
- IUPAC
- (3-methyl-4-methylsulfanylphenyl) acetate
Names & synonyms
14143-27-2(3-methyl-4-methylsulfanylphenyl) acetate3-methyl-4-(methylsulfanyl)phenyl acetateNSC108658Phenol,3-methyl-4-(methylthio)-, 1-acetateSCHEMBL3892252DTXSID30296292DVMLSOIBVZINOH-UHFFFAOYSA-NNSC-1086583-methyl-4-methylsulfanyl-phenyl acetatePhenol, 3-methyl-4-(methylthio)-, 1-acetate
Database identifiers
- CAS
14143-27-2- PubChem CID
- 268463
- DTXSID
DTXSID30296292
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
2 records
Compound notes
Loading…