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Home > Pyridines > 380442-83-1
380442-83-1 | 4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 380442-83-1 Catalog No: AG019HEW MDL No:MFCD03476821
Product Description
Catalog Number:
AG019HEW
Chemical Name:
4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
380442-83-1
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
MDL Number:
MFCD03476821
IUPAC Name:
4-(2,6-diethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H18N4S/c1-3-12-7-5-8-13(4-2)15(12)21-16(19-20-17(21)22)14-9-6-10-18-11-14/h5-11H,3-4H2,1-2H3,(H,20,22)
InChI Key:
OVERFFTYHTZZPI-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1n1c(S)nnc1c1cccnc1)CC
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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