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Home > Pyridines > 929826-32-4
929826-32-4 | 5-phenyl-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 929826-32-4 Catalog No: AG00WWGC MDL No:MFCD09845858
Product Description
Catalog Number:
AG00WWGC
Chemical Name:
5-phenyl-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
929826-32-4
Molecular Formula:
C13H10N4S
Molecular Weight:
254.3103
MDL Number:
MFCD09845858
IUPAC Name:
3-phenyl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H10N4S/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)11-7-4-8-14-9-11/h1-9H,(H,16,18)
InChI Key:
MGPWDLOEGUWTBB-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1cccnc1)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.311g/mol
Monoisotopic Mass:
254.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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