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Home > Pyridines > 119287-22-8
119287-22-8 | Pyridine, 2-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 119287-22-8 Catalog No: AG000IIR MDL No:
Product Description
Catalog Number:
AG000IIR
Chemical Name:
Pyridine, 2-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
119287-22-8
Molecular Formula:
C12H8N4S
Molecular Weight:
240.2837
IUPAC Name:
2-pyridin-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C12H8N4S/c1-2-6-14-10(3-1)12-16-15-11(17-12)9-4-7-13-8-5-9/h1-8H
InChI Key:
WUVKRSKKKJPUGN-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1nnc(s1)c1ccccn1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.284g/mol
Monoisotopic Mass:
240.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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