Home Carboxys 2-(methylsulfanyl)pyridine-4-carboxylic acid

2-(methylsulfanyl)pyridine-4-carboxylic acid

CAS No.:
74470-24-9
Catalog Number:
AG019WWH
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
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Product Description
Catalog Number:
AG019WWH
Chemical Name:
2-(methylsulfanyl)pyridine-4-carboxylic acid
CAS Number:
74470-24-9
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00661390
IUPAC Name:
2-methylsulfanylpyridine-4-carboxylic acid
InChI:
InChI=1S/C7H7NO2S/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
InChI Key:
KNSRPLWLSAKKIO-UHFFFAOYSA-N
SMILES:
CSc1nccc(c1)C(=O)O
Properties
Complexity:
151  
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:
4  
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:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties