Basic information
- CAS
69746-44-7- Standard SMILES
COc1cccc(SC(C)=O)c1- InChIKey
BSUMOLODBDMGEB-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015056
Names & identifiers
- Preferred name
- S-(3-Methoxyphenyl) ethanethioate
- IUPAC
- S-(3-methoxyphenyl) ethanethioate
Names & synonyms
S-(3-Methoxyphenyl) ethanethioate69746-44-7DTXSID00337186RefChem:379443DTXCID90288274S-3-MethoxyphenylthioacetateMFCD15145700Ethanethioic acid, S-(3-methoxyphenyl) esterS-3-methoxyphenyl ethanethioate3-Methoxythiophenol, S-acetyl-SCHEMBL28470846S-(3-methoxyphenyl) thioacetate
Show more names
S-(3-Methoxyphenyl) ethanethioate #F399828
Database identifiers
- CAS
69746-44-7- PubChem CID
- 539677
- DTXSID
DTXSID00337186- Nikkaji
- J3.027.805D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 159
Related reactions
4 records
Compound notes
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