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32362-88-2 | 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol
CAS No: 32362-88-2 Catalog No: AG003M4T MDL No:MFCD03411735
Product Description
Catalog Number:
AG003M4T
Chemical Name:
5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
32362-88-2
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
MDL Number:
MFCD03411735
IUPAC Name:
5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H2,9,10,11,12)
InChI Key:
GAYWCADKXYCKCG-UHFFFAOYSA-N
SMILES:
Sc1n[nH]c(n1)c1cccnc1
NSC Number:
625812
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents. | Chemical biology & drug design 20170801 |
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