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2196-13-6 | Pyridine-4-carbothioamide
CAS No: 2196-13-6 Catalog No: AG003USE MDL No:MFCD00006437
Product Description
Catalog Number:
AG003USE
Chemical Name:
Pyridine-4-carbothioamide
CAS Number:
2196-13-6
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD00006437
IUPAC Name:
pyridine-4-carbothioamide
InChI:
InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChI Key:
KPIIGXWUNXGGCP-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccncc1
EC Number:
218-592-6
UNII:
HTF7HM3GAS
NSC Number:
1607
Properties
Complexity:
108
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:
0.3
Literature
| Title | Journal |
|---|---|
| [Chemical studies the mechanism of action of isoniazid]. | Arzneimittel-Forschung 19661101 |
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