Basic information
- CAS
50910-13-9- Standard SMILES
CSc1ccc(OC(C)=O)cc1- InChIKey
SYALUPHWPQJTEM-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Names & identifiers
- Preferred name
- (4-Methylsulfanylphenyl) acetate
- IUPAC
- (4-methylsulfanylphenyl) acetate
Names & synonyms
(4-methylsulfanylphenyl) acetate50910-13-9DTXSID70311014RefChem:208962DTXCID402621404-(Methylthio)phenyl acetate4-(methylsulfanyl)phenyl acetateNSC235610starbld0019040SCHEMBL7998412SYALUPHWPQJTEM-UHFFFAOYSA-N4-(Methylmercapto)phenol, acetate
Show more names
NSC-235610
Database identifiers
- CAS
50910-13-9- PubChem CID
- 314901
- DTXSID
DTXSID70311014- Nikkaji
- J283.965B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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