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Home > Pyridines > 117080-37-2
117080-37-2 | 4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 117080-37-2 Catalog No: AG019JZE MDL No:MFCD05134116
Product Description
Catalog Number:
AG019JZE
Chemical Name:
4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
117080-37-2
Molecular Formula:
C15H14N4S
Molecular Weight:
282.3635
MDL Number:
MFCD05134116
IUPAC Name:
4-(3,4-dimethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H14N4S/c1-10-3-4-13(9-11(10)2)19-14(17-18-15(19)20)12-5-7-16-8-6-12/h3-9H,1-2H3,(H,18,20)
InChI Key:
QZFFLMOXIVIZTC-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccc(c(c1)C)C)c1ccncc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.365g/mol
Monoisotopic Mass:
282.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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