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Home > Pyridines > 519152-01-3
519152-01-3 | 4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 519152-01-3 Catalog No: AG019HFH MDL No:MFCD03479995
Product Description
Catalog Number:
AG019HFH
Chemical Name:
4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
519152-01-3
Molecular Formula:
C15H14N4S
Molecular Weight:
282.3635
MDL Number:
MFCD03479995
IUPAC Name:
4-(2,4-dimethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H14N4S/c1-10-5-6-13(11(2)8-10)19-14(17-18-15(19)20)12-4-3-7-16-9-12/h3-9H,1-2H3,(H,18,20)
InChI Key:
LWRCSEDVSYLLMO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)n1c(S)nnc1c1cccnc1
Properties
Complexity:
409
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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