Completing data — usually done within a minute
Basic information
- CAS
34774-88-4- Standard SMILES
CSCc1cccc(Cl)c1N- InChIKey
NQURKOQGRQARCN-UHFFFAOYSA-N- Molecular formula
- C8H10ClNS
- Average molar mass
- 187.69 g/mol
- Monoisotopic mass
- 187.022248
Names & identifiers
- Preferred name
- 2-Chloro-6-methylsulfanylmethyl-phenylamine
- IUPAC
- 2-chloro-6-(methylsulfanylmethyl)aniline
Names & synonyms
2-Chloro-6-methylsulfanylmethyl-phenylamine34774-88-4DTXSID90316006RefChem:259145DTXCID30267129NSC298394SCHEMBL5730612NQURKOQGRQARCN-UHFFFAOYSA-NNSC-298394DS-0098602-CHLORO-6-[(METHYLSULFANYL)METHYL]ANILINEBENZENAMINE,2-CHLORO-6-[(METHYLTHIO)METHYL]-
Database identifiers
- CAS
34774-88-4- PubChem CID
- 326709
- DTXSID
DTXSID90316006
Properties
Computed structural propertiesFilling in
- 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
2 records
Compound notes
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