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4621-66-3 | 3-Pyridinecarbothioamide
CAS No: 4621-66-3 Catalog No: AG00I8KH MDL No:MFCD00006399
Product Description
Catalog Number:
AG00I8KH
Chemical Name:
3-Pyridinecarbothioamide
CAS Number:
4621-66-3
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD00006399
IUPAC Name:
pyridine-3-carbothioamide
InChI:
InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChI Key:
XQWBMZWDJAZPPX-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccnc1
EC Number:
225-036-6
UNII:
6A0HXX0753
NSC Number:
18336
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.188g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Structural and kinetic isotope effect studies of nicotinamidase (Pnc1) from Saccharomyces cerevisiae. | Biochemistry 20120110 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Elucidating the structure-activity relationships of the vasorelaxation and antioxidation properties of thionicotinic acid derivatives. | Molecules (Basel, Switzerland) 20100106 |
| 3-Carbamothioylpyridinium iodide. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Novel bUT-B2 urea transporter isoform is constitutively activated. | American journal of physiology. Regulatory, integrative and comparative physiology 20090801 |
| Molecular cloning and characterization of a novel lactate dehydrogenase gene from Clonorchis sinensis. | Parasitology research 20060601 |
| Electron transfer kinetics and mechanistic study of the thionicotinamide coordinated to the pentacyanoferrate(III)/(II) complexes: a model system for the in vitro activation of thioamides anti-tuberculosis drugs. | Journal of inorganic biochemistry 20050201 |
| Urea transport in MDCK cells that are stably transfected with UT-A1. | American journal of physiology. Cell physiology 20040601 |
| Interactions between transhydrogenase and thio-nicotinamide Analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation. | The Journal of biological chemistry 20030829 |
| Structures of D-glyceraldehyde-3-phosphate dehydrogenase complexed with coenzyme analogues. | Acta crystallographica. Section D, Biological crystallography 20020801 |
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
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