Home Carboxys 2-(cyclopentylsulfanyl)pyridine-3-carboxylic acid

2-(cyclopentylsulfanyl)pyridine-3-carboxylic acid

CAS No.:
953721-41-0
Catalog Number:
AG019WD1
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WD1
Chemical Name:
2-(cyclopentylsulfanyl)pyridine-3-carboxylic acid
CAS Number:
953721-41-0
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
MDL Number:
MFCD09733876
IUPAC Name:
2-cyclopentylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C11H13NO2S/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChI Key:
BGJPFAXRLQDXEI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1SC1CCCC1
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties