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N'-[[4-(2-(diaminomethylidene)hydrazinyl)phenyl]amino]-1-,sulfanylmet

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摘 要: N'-[[4-(2-(diaminomethylidene)hydrazinyl)phenyl]amino]-1-,sulfanylmethanimidamide,Canonical SMILES: C1=CC(=CC=C1NN=C(N)N)NN=C(N)S,InChI: InChI=1/C8H13N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12-13H,,(H4,9,10,14)(H3,11,15,16)/f/h16H,9-11H2,
[Synonyms]

[Structure]
 N'-[[4-(2-(diaminomethylidene)hydrazinyl)phenyl]amino]-1-,sulfanylmet

[ Properties Computed from Structure]
Molecular Weight239.30072 [g/mol]
Molecular FormulaC8H13N7S
XLogP1.4
H-Bond Donor5
H-Bond Acceptor7
Rotatable Bond Count4
Tautomer Count6
Exact Mass239.095314
MonoIsotopic Mass239.095314
Topological Polar Surface Area127
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N'-[[4-(2-(diaminomethylidene)hydrazinyl)phenyl]amino]-1-
sulfanylmethanimidamide
Canonical SMILES: C1=CC(=CC=C1NN=C(N)N)NN=C(N)S
InChI: InChI=1/C8H13N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12-13H,
(H4,9,10,14)(H3,11,15,16)/f/h16H,9-11H2

 
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