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Home > Pyridines > 345631-78-9
345631-78-9 | 3-(pyridin-3-yl)-1,2,4-oxadiazole-5-thiol
CAS No: 345631-78-9 Catalog No: AG01A4L5 MDL No:MFCD17259796
Product Description
Catalog Number:
AG01A4L5
Chemical Name:
3-(pyridin-3-yl)-1,2,4-oxadiazole-5-thiol
CAS Number:
345631-78-9
Molecular Formula:
C7H5N3OS
Molecular Weight:
179.1991
MDL Number:
MFCD17259796
IUPAC Name:
3-pyridin-3-yl-2H-1,2,4-oxadiazole-5-thione
InChI:
InChI=1S/C7H5N3OS/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,12)
InChI Key:
FYNBWTWYAPOXGP-UHFFFAOYSA-N
SMILES:
Sc1onc(n1)c1cccnc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.197g/mol
Monoisotopic Mass:
179.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. 2. | Journal of medicinal chemistry 20010510 |
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