3-methoxy-N,N-dimethyl-4-(trichloromethylsulfanyl)aniline

HCID 253191

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Basic information

CAS: 91799-65-4
Standard SMILES: COc1cc(N(C)C)ccc1SC(Cl)(Cl)Cl
InChIKey: XERPDLKIXHHYNB-UHFFFAOYSA-N
Molecular formula: C10H12Cl3NOS
Average molar mass: 300.6 g/mol
Monoisotopic mass: 298.970518

Names & identifiers

Preferred name: 3-methoxy-N,N-dimethyl-4-(trichloromethylsulfanyl)aniline
IUPAC: 3-methoxy-N,N-dimethyl-4-(trichloromethylsulfanyl)aniline

Names & synonyms

91799-65-43-methoxy-N,N-dimethyl-4-(trichloromethylsulfanyl)anilineNSC75774DTXSID40291475NSC-75774DS-0098673-methoxy-N,N-dimethyl-4-[(trichloromethyl)sulfanyl]anilineBenzenamine,3-methoxy-n,n-dimethyl-4-[(trichloromethyl)thio]-

Database identifiers

CAS: 91799-65-4
PubChem CID: 253191
DTXSID: DTXSID40291475

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 37.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 223

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