1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene

HCID 283155

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Basic information

CAS: 2378644-19-8
Standard SMILES: O=[N+]([O-])c1ccc(N=Nc2ccc(N=C=S)cc2)cc1
InChIKey: HQLMTPHMWRDLGZ-UHFFFAOYSA-N
Molecular formula: C13H8N4O2S
Average molar mass: 284.3 g/mol
Monoisotopic mass: 284.03679668

Names & identifiers

Preferred name: 1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene
IUPAC: (4-isothiocyanatophenyl)-(4-nitrophenyl)diazene

Names & synonyms

24722-66-5NSC137466NSC 1374661-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazeneNSC-137466Diazene, 1-(4-isothiocyanatophenyl)-2-(4-nitrophenyl)-(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene4-nitro-4'-isothiocyanatoazobenzene2N84D48Y8WDTXSID9010386494-Nitroazobenzene-4'-isothiocyanate(E)-(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene

Show more names

1-(4-Isothiocyanatophenyl)-2-(4-nitrophenyl)diazeneIsothiocyanic acid, p-[(p-nitrophenyl)azo]phenyl ester2378644-19-8

Database identifiers

CAS: 2378644-19-8、24722-66-5
PubChem CID: 283155
DTXSID: DTXSID901038649
UNII: 2N84D48Y8W
Nikkaji: J3.497.479I

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 115 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 401

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