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Home > Pyridines > 126209-04-9
126209-04-9 | Pyridine, 2-(1H-1,2,4-triazol-5-ylthio)-
CAS No: 126209-04-9 Catalog No: AG000SD1 MDL No:
Product Description
Catalog Number:
AG000SD1
Chemical Name:
Pyridine, 2-(1H-1,2,4-triazol-5-ylthio)-
CAS Number:
126209-04-9
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
IUPAC Name:
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine
InChI:
InChI=1S/C7H6N4S/c1-2-4-8-6(3-1)12-7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChI Key:
RBQUXCVQQFXMAA-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)Sc1ncn[nH]1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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