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Home > Pyridines > 260541-34-2
260541-34-2 | 3-Pyridinecarbothioamide, 1,2-dihydro-N-(2-hydroxyethyl)-2-thioxo-
CAS No: 260541-34-2 Catalog No: AG002RJ0 MDL No:
Product Description
Catalog Number:
AG002RJ0
Chemical Name:
3-Pyridinecarbothioamide, 1,2-dihydro-N-(2-hydroxyethyl)-2-thioxo-
CAS Number:
260541-34-2
Molecular Formula:
C8H10N2OS2
Molecular Weight:
214.3078
IUPAC Name:
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide
InChI:
InChI=1S/C8H10N2OS2/c11-5-4-10-8(13)6-2-1-3-9-7(6)12/h1-3,11H,4-5H2,(H,9,12)(H,10,13)
InChI Key:
FLEZWDLZIREEOR-UHFFFAOYSA-N
SMILES:
OCCNC(=S)c1ccc[nH]c1=S
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.301g/mol
Monoisotopic Mass:
214.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro anti-mycobacterium activity of N-alkyl-1, 2-dihydro-2-thioxo-3-pyridinecarbothioamides. Preliminary toxicity and pharmacokinetic evaluation. | Journal of medicinal chemistry 20000127 |
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