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Home Other Building Blocks 4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:
132844-81-6
Catalog Number:
AG019HBC
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
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Product Description
Catalog Number:
AG019HBC
Chemical Name:
4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
132844-81-6
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
MDL Number:
MFCD02854391
IUPAC Name:
4-(2-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H12N4S/c1-10-5-2-3-7-12(10)18-13(16-17-14(18)19)11-6-4-8-15-9-11/h2-9H,1H3,(H,17,19)
InChI Key:
ZAGJQFIRJFZVPB-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1C)c1cccnc1
Properties
Complexity:
382  
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:
2.5  
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
Properties