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Home > Pyridines > 120162-99-4
120162-99-4 | 4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 120162-99-4 Catalog No: AG01A0MT MDL No:MFCD02343992
Product Description
Catalog Number:
AG01A0MT
Chemical Name:
4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
120162-99-4
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
MDL Number:
MFCD02343992
IUPAC Name:
4-(4-methylphenyl)-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H12N4S/c1-10-5-7-11(8-6-10)18-13(16-17-14(18)19)12-4-2-3-9-15-12/h2-9H,1H3,(H,17,19)
InChI Key:
KFQVUPWGDBAFNE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)nnc1c1ccccn1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.338g/mol
Monoisotopic Mass:
268.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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