| CAS Number | 929975-65-5 |
| Catalog Number | AG019KHE |
| Chemical Name | 3-[(Imidazo[1,2-a]pyridin-2-ylmethyl)thio]propanoic acid |
| IUPAC Name | 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanoic acid |
| InChI | InChI=1S/C11H12N2O2S/c14-11(15)4-6-16-8-9-7-13-5-2-1-3-10(13)12-9/h1-3,5,7H,4,6,8H2,(H,14,15) |
| InChI Key | QNLRSUZEBNCAPM-UHFFFAOYSA-N |
| MDL Number | MFCD09040465 |
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.2902 |
| SMILES | OC(CCSCC1N=C2N(C=CC=C2)C=1)=O |
| Synonyms | 3-({imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)propanoic acid,
929975-65-5,
3-[(imidazo[1,2-a]pyridin-2-ylmethyl)thio]propanoic acid,
AC1Q75RA,
CTK7J4660,
ZINC8754322,
AKOS000202265,
MCULE-3601088143,
NE60647,
EN300-26939,
Z197205940,
3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]propanoic acid,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.289g/mol |
| Monoisotopic Mass | 236.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number