| CAS Number | 953721-41-0 |
| Catalog Number | AG019WD1(AGN-PC-0WO14H) |
| Chemical Name | 2-(Cyclopentylsulfanyl)pyridine-3-carboxylic acid |
| 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 |
| MDL Number | MFCD09733876 |
| Molecular Formula | C11H13NO2S |
| Molecular Weight | 223.2914 |
| SMILES | OC(C1=C(SC2CCCC2)N=CC=C1)=O |
| Synonyms | 2-(cyclopentylsulfanyl)pyridine-3-carboxylic acid,
953721-41-0,
AC1Q72LM,
SCHEMBL15669046,
CTK7I9863,
BGJPFAXRLQDXEI-UHFFFAOYSA-N,
2-cyclopentylsulfanyl-nicotinic acid,
ZINC22209394,
AKOS000139180,
MCULE-5627949028,
NE59938,
EN300-51508,
Z71178059,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number