Basic information
- CAS
63906-53-6- Standard SMILES
CCc1ccccc1SC(C)=O- InChIKey
SLVAAKBEZYSRJE-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- S-(2-ethylphenyl) ethanethioate
- IUPAC
- S-(2-ethylphenyl) ethanethioate
- English name
- Thioacetic acid S-(2-ethylphenyl) ester
- Molecular formula
- C10H12OS
- Molecular weight
- 180.27
Names & synonyms
63906-53-6NIOSH/AJ6890000Acetic acid, thiol-, o-ethylphenyl esterS-(2-ethylphenyl) ethanethioateAJ68900000ACETIC ACID, THIO-, S-(2-ETHYLPHENYL) ESTERNSC72744Thioacetic acid S-(2-ethylphenyl) esterEthanethioic acid, S-(2-ethylphenyl) esterWLN: 2R BSV1s-(2-Ethylphenyl)ethanethioateSCHEMBL12419024
Show more names
Acetic acid, o-ethylphenyl esterDTXSID00275478NSC-72744Acetic acid, S-(2-ethylphenyl) esterDB-327522
Database identifiers
- CAS
63906-53-6- PubChem CID
- 45164
- DTXSID
DTXSID00275478- Nikkaji
- J86.291F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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