Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 182.2461 [g/mol] Molecular Formula C7H10N4S XLogP 1.6 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 2 Tautomer Count 6 Exact Mass 182.062617 MonoIsotopic Mass 182.062617 Topological Polar Surface Area 66.5 Heavy Atom Count 12 Formal Charge 0 Complexity 212 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-[1-(1H-pyrrol-2-yl)ethylideneamino]-1-sulfanylmethanimidamide
Canonical SMILES: CC(=NN=C(N)S)C1=CC=CN1
InChI: InChI=1/C7H10N4S/c1-5(10-11-7(8)12)6-3-2-4-9-6/h2-4,9H,1H3,(H3,8,11,
12)/f/h12H,8H2
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