Basic information
- CAS
216485-87-9- Standard SMILES
CSc1cccc(Cl)c1N- InChIKey
WCMJPIPJGKVMMY-UHFFFAOYSA-N- Molecular formula
- C7H8ClNS
- Average molar mass
- 173.66 g/mol
- Monoisotopic mass
- 173.0065981
Names & identifiers
- Preferred name
- 2-Chloro-6-(methylthio)aniline
- IUPAC
- 2-chloro-6-methylsulfanylaniline
Names & synonyms
2-chloro-6-(methylthio)aniline2-chloro-6-(methylthio)benzenamine2-Chloro-6-methylthioanilineSCHEMBL3786990WCMJPIPJGKVMMY-UHFFFAOYSA-NDTXSID7012974252-Chloro-6-(methylsulfanyl)anilinebenzenamine, 2-chloro-6-(methylthio)-216485-87-9InChI=1/C7H8ClNS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H
Database identifiers
- CAS
216485-87-9- PubChem CID
- 640702
- DTXSID
DTXSID701297425
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
5 records
Compound notes
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