Home Carboxys 2-(tert-butylsulfanyl)pyridine-4-carboxylic acid

2-(tert-butylsulfanyl)pyridine-4-carboxylic acid

CAS No.:
1019539-10-6
Catalog Number:
AG01A53E
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
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Product Description
Catalog Number:
AG01A53E
Chemical Name:
2-(tert-butylsulfanyl)pyridine-4-carboxylic acid
CAS Number:
1019539-10-6
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD11136038
IUPAC Name:
2-tert-butylsulfanylpyridine-4-carboxylic acid
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)14-8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13)
InChI Key:
ZFEKRVIJJMIJBO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)SC(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  
Properties