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178811-41-1 | 2-Pyridinecarboxylic acid, 3-[(1,1-dimethylethyl)thio]-
CAS No: 178811-41-1 Catalog No: AG0026EK MDL No:
Product Description
Catalog Number:
AG0026EK
Chemical Name:
2-Pyridinecarboxylic acid, 3-[(1,1-dimethylethyl)thio]-
CAS Number:
178811-41-1
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
3-tert-butylsulfanylpyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)14-7-5-4-6-11-8(7)9(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
UAUIAQFRHBUKPY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncccc1SC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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