| CAS Number | 929975-66-6 |
| Catalog Number | AG019KHF |
| Chemical Name | 4-[(Imidazo[1,2-a]pyridin-2-ylmethyl)thio]benzoic acid |
| IUPAC Name | 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid |
| InChI | InChI=1S/C15H12N2O2S/c18-15(19)11-4-6-13(7-5-11)20-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2,(H,18,19) |
| InChI Key | MIJFWPPINOKNBT-UHFFFAOYSA-N |
| MDL Number | MFCD09040466 |
| Molecular Formula | C15H12N2O2S |
| Molecular Weight | 284.3330 |
| SMILES | OC(C1=CC=C(SCC2N=C3N(C=CC=C3)C=2)C=C1)=O |
| Synonyms | 4-({imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)benzoic acid,
929975-66-6,
4-[(imidazo[1,2-a]pyridin-2-ylmethyl)thio]benzoic acid,
AC1Q73HC,
CTK7I8160,
ZINC8754336,
AKOS000198976,
MCULE-8861210520,
NE22253,
EN300-26940,
Z235343025,
4-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid,
benzoic acid, 4-[(imidazo[1,2-a]pyridin-2-ylmethyl)thio]-,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.333g/mol |
| Monoisotopic Mass | 284.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number