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Home > Pyridines > 129119-80-8
129119-80-8 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-
CAS No: 129119-80-8 Catalog No: AG000YV7 MDL No:MFCD00891735
Product Description
Catalog Number:
AG000YV7
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-
CAS Number:
129119-80-8
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
MDL Number:
MFCD00891735
IUPAC Name:
4-benzyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H12N4S/c19-14-17-16-13(12-7-4-8-15-9-12)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChI Key:
PXHPPVLWNLIWNR-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(n1Cc1ccccc1)c1cccnc1
Properties
Complexity:
363
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:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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