1,2-Dimethoxy-3-(methylthio)benzene
Basic information
- CAS
51506-47-9- Standard SMILES
COc1cccc(SC)c1OC- InChIKey
XOVPAEYIQNDFAV-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- 1,2-Dimethoxy-3-(methylthio)benzene
- IUPAC
- 1,2-dimethoxy-3-methylsulfanylbenzene
- English name
- 1,2-Dimethoxy-3-(methylthio)benzene
- Molecular formula
- C9H12O2S
- Molecular weight
- 184.26
Names & synonyms
1,2-Dimethoxy-3-(methylthio)benzene51506-47-91,2-dimethoxy-3-methylsulfanylbenzene(2,3-dimethoxyphenyl)(methyl)sulfane1,2-Dimethoxy-3-(methylsulfanyl)benzene1,2-DIMETHOXY-3-(METHYL-THIO)-BENZENESCHEMBL8425830SCHEMBL8425831DTXSID00345307XOVPAEYIQNDFAV-UHFFFAOYSA-NAKOS0243234241,2-Dimethoxy-3-(methylsulfanyl)benzene #
Show more names
2,3-diMethoxythioanisole1,2-dimethyl-3-(methylthio)benzeneBenzene, 1,2-dimethoxy-3-(methylthio)-
1,2-DIMETHOXY-3-METHYLSULFANYL-BENZENEInChI=1/C9H12O2S/c1-10-7-5-4-6-8(12-3)9(7)11-2/h4-6H,1-3H
Database identifiers
- CAS
51506-47-9- PubChem CID
- 603576
- DTXSID
DTXSID00345307
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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