N-[(E)-(5-nitrothiophen-2-yl)methylidene]-4-[(E)-phenyldiazenyl]aniline

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Basic information

CAS: 314279-67-9
Standard SMILES: O=[N+]([O-])c1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)s1
InChIKey: UCCAPMUPCMZLCE-UHFFFAOYSA-N
Molecular formula: C17H12N4O2S
Average molar mass: 336.4 g/mol
Monoisotopic mass: 336.06809681

Names & identifiers

Preferred name: N-[(E)-(5-nitrothiophen-2-yl)methylidene]-4-[(E)-phenyldiazenyl]aniline
IUPAC: 1-(5-nitrothiophen-2-yl)-N-(4-phenyldiazenylphenyl)methanimine

Names & synonyms

314279-67-9N-[(E)-(5-nitrothiophen-2-yl)methylidene]-4-[(E)-phenyldiazenyl]anilineDTXSID501040494STK072214AKOS000485975Benzenamine, N-[(5-nitro-2-thienyl)methylene]-4-(2-phenyldiazenyl)-

Database identifiers

CAS: 314279-67-9
PubChem CID: 2833009
DTXSID: DTXSID501040494

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 466

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Compound notes

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