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209248-75-9

209248-75-9 | 4(1H)-Pyridinethione, 3-hydroxy-1,2-dimethyl-

CAS No: 209248-75-9 Catalog No: AG002K3T MDL No:

Product Description

Catalog Number:
AG002K3T
Chemical Name:
4(1H)-Pyridinethione, 3-hydroxy-1,2-dimethyl-
CAS Number:
209248-75-9
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
IUPAC Name:
3-hydroxy-1,2-dimethylpyridine-4-thione
InChI:
InChI=1S/C7H9NOS/c1-5-7(9)6(10)3-4-8(5)2/h3-4,9H,1-2H3
InChI Key:
SVOBTPSWHFSTQO-UHFFFAOYSA-N
SMILES:
Cn1ccc(=S)c(c1C)O

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Complexes of hydroxy(thio)pyrone and hydroxy(thio)pyridinone with Zn(II) and Mo(VI). Thermodynamic stability and insulin-mimetic activity. Metallomics : integrated biometal science 20100301
Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes. Dalton transactions (Cambridge, England : 2003) 20050807
Group 13 and lanthanide complexes with mixed O,S anionic ligands derived from maltol. Inorganic chemistry 20050418
Vanadium complexes with mixed O,S anionic ligands derived from maltol: synthesis, characterization, and biological studies. Inorganic chemistry 20050418
Addressing lead toxicity: complexation of lead(II) with thiopyrone and hydroxypyridinethione O,S mixed chelators. Inorganic chemistry 20041018

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