4-Chloro-2-[(methylsulfanyl)methyl]aniline
Basic information
- CAS
21502-31-8- Standard SMILES
CSCc1cc(Cl)ccc1N- InChIKey
TUZOKUVGOHPVIO-UHFFFAOYSA-N- Molecular formula
- C8H10ClNS
- Average molar mass
- 187.69 g/mol
- Monoisotopic mass
- 187.0222482
Names & identifiers
- Preferred name
- 4-Chloro-2-[(methylsulfanyl)methyl]aniline
- IUPAC
- 4-chloro-2-(methylsulfanylmethyl)aniline
Names & synonyms
21502-31-84-Chloro-2-[(methylsulfanyl)methyl]anilineNSC298391SCHEMBL11737566DTXSID703160042-methylthiomethyl-4-chloroanilineAKOS017529888NSC-298391DS-009883BENZENAMINE,4-CHLORO-2-[(METHYLTHIO)METHYL]-
Database identifiers
- CAS
21502-31-8- PubChem CID
- 326706
- DTXSID
DTXSID70316004- Nikkaji
- J3.587.363E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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