Home Carboxys 3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-, methyl ester

3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-, methyl ester

CAS No.:
74470-32-9
Catalog Number:
AG005BFF
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005BFF
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-, methyl ester
CAS Number:
74470-32-9
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD01860203
IUPAC Name:
methyl 2-sulfanylidene-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H7NO2S/c1-10-7(9)5-3-2-4-8-6(5)11/h2-4H,1H3,(H,8,11)
InChI Key:
BQQXUGGTSVMBLL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc[nH]c1=S
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties