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Home > Pyridines > 380442-88-6
380442-88-6 | 4-[2-(propan-2-yl)phenyl]-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 380442-88-6 Catalog No: AG019HEU MDL No:MFCD03476826
Product Description
Catalog Number:
AG019HEU
Chemical Name:
4-[2-(propan-2-yl)phenyl]-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
380442-88-6
Molecular Formula:
C16H16N4S
Molecular Weight:
296.3900
MDL Number:
MFCD03476826
IUPAC Name:
4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H16N4S/c1-11(2)13-7-3-4-8-14(13)20-15(18-19-16(20)21)12-6-5-9-17-10-12/h3-11H,1-2H3,(H,19,21)
InChI Key:
ZIBSMSJQYYUMMU-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1n1c(S)nnc1c1cccnc1)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.392g/mol
Monoisotopic Mass:
296.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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