N,N-Dimethyl-p-[(p-nitrophenyl)thio]aniline

HCID 286196

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Basic information

CAS: 22865-51-6
Standard SMILES: CN(C)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: CPWFSMIGUGJMSA-UHFFFAOYSA-N
Molecular formula: C14H14N2O2S
Average molar mass: 274.34 g/mol
Monoisotopic mass: 274.07759887

Names & identifiers

Preferred name: N,N-Dimethyl-p-[(p-nitrophenyl)thio]aniline
IUPAC: N,N-dimethyl-4-(4-nitrophenyl)sulfanylaniline

Names & synonyms

4-Nitro-4'-dimethylaminodiphenyl sulfide22865-51-6n,n-dimethyl-4-[(4-nitrophenyl)sulfanyl]anilineNSC144050N,N-Dimethyl-p-[(p-nitrophenyl)thio]anilineDTXSID70945550NSC-144050DS-009908Aniline,N-dimethyl-p-[(p-nitrophenyl)thio]-Benzenamine,N-dimethyl-4-[(4-nitrophenyl)thio]-Benzenamine,n,n-dimethyl-4-[(4-nitrophenyl)thio]-

Database identifiers

CAS: 22865-51-6
PubChem CID: 286196
DTXSID: DTXSID70945550
Nikkaji: J614.482I

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 290

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