Basic information
- Standard SMILES
COc1cc(SC)ccc1C(=O)Cl- InChIKey
HPXYPQUUKOWRKM-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2S
- Average molar mass
- 216.68 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-4-(methylthio)benzoyl chloride
- IUPAC
- 2-methoxy-4-methylsulfanylbenzoyl chloride
Names & synonyms
2-methoxy-4-(methylthio)benzoyl chloride69883-78-92-methoxy-4-methylsulfanylbenzoyl chlorideSCHEMBL4654289HPXYPQUUKOWRKM-UHFFFAOYSA-NMFCD034247102-methoxy-4-methylmercapto-benzoylchloride2-methoxy-4-methylmercapto-benzoyl chloride
Database identifiers
- PubChem CID
- 2759591
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 186
Related reactions
5 records
Compound notes
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