Free Chemical Databases
-
[Synonyms]
MLS000737262
NSC106461
SMR000444347
2726-92-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 240.28372 [g/mol] Molecular Formula C12H8N4S XLogP 2.4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 2 Exact Mass 240.046967 MonoIsotopic Mass 240.046967 Topological Polar Surface Area 51.6 Heavy Atom Count 17 Formal Charge 0 Complexity 227 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine
Canonical SMILES: C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3
InChI: InChI=1/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-
8H
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