| CAS Number | 66234-67-1 |
| Catalog Number | AG01A61D(AGN-PC-0OFNT4) |
| Chemical Name | 2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetic acid |
| IUPAC Name | 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetic acid |
| InChI | InChI=1S/C8H7N3O2S/c12-7(13)5-14-8-10-9-6-3-1-2-4-11(6)8/h1-4H,5H2,(H,12,13) |
| InChI Key | IFUNFRQWCVRGGC-UHFFFAOYSA-N |
| MDL Number | MFCD16471388 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| SMILES | OC(CSC1N2C(C=CC=C2)=NN=1)=O |
| Synonyms | 2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetic acid,
66234-67-1,
ZINC39225818,
AKOS008962858,
MCULE-3683710329,
NE34932,
Z55118889,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.223g/mol |
| Monoisotopic Mass | 209.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number