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5346-38-3

5346-38-3 | Pyridinecarbothioamide

CAS No: 5346-38-3 Catalog No: AG00I9JM MDL No:MFCD00087576

Product Description

Catalog Number:
AG00I9JM
Chemical Name:
Pyridinecarbothioamide
CAS Number:
5346-38-3
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD00087576
IUPAC Name:
pyridine-2-carbothioamide
InChI:
InChI=1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
InChI Key:
HYKQYVSNFPWGKQ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccn1
NSC Number:
1606

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:
1.2  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
N-Butyl-pyridine-4-thio-carboxamide. Acta crystallographica. Section E, Structure reports online 20080101
Stoichiometric and catalytic secondary O-atom transfer by Fe(III)-NO2 complexes derived from a planar tetradentate non-heme ligand: reminiscence of heme chemistry. Inorganic chemistry 20061211
Synthesis and antimycobacterial activity of pyridylmethylsulfanyl and naphthylmethylsulfanyl derivatives of benzazoles, 1, 2, 4-triazole, and pyridine-2-carbothioamide/-2-carbonitrile. Archiv der Pharmazie 20041001
[Chemical studies the mechanism of action of isoniazid]. Arzneimittel-Forschung 19661101

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