Home Carboxys 2-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester

2-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester

CAS No.:
74470-41-0
Catalog Number:
AG005XNZ
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
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Product Description
Catalog Number:
AG005XNZ
Chemical Name:
2-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester
CAS Number:
74470-41-0
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD01928254
IUPAC Name:
methyl 6-methylsulfanylpyridine-2-carboxylate
InChI:
InChI=1S/C8H9NO2S/c1-11-8(10)6-4-3-5-7(9-6)12-2/h3-5H,1-2H3
InChI Key:
GHSGWWUMOGMFIM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)SC
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties