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14716-87-1 | 2-Pyridinecarboxylic acid, 1,6-dihydro-6-thioxo-
CAS No: 14716-87-1 Catalog No: AG001EOG MDL No:MFCD01860219
Product Description
Catalog Number:
AG001EOG
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-6-thioxo-
CAS Number:
14716-87-1
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD01860219
IUPAC Name:
6-sulfanylidene-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5NO2S/c8-6(9)4-2-1-3-5(10)7-4/h1-3H,(H,7,10)(H,8,9)
InChI Key:
XAZPTGPAFUAPBU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(=S)[nH]1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Colorimetric detection of Cd2+ using gold nanoparticles cofunctionalized with 6-mercaptonicotinic acid and L-cysteine. | The Analyst 20110921 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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