| CAS Number | 76259-06-8 |
| Catalog Number | AG019WJO(AGN-PC-0WOC5E) |
| Chemical Name | 3-(Methylsulfanyl)imidazo[1,5-a]pyridine-1-carboxylic acid |
| IUPAC Name | 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid |
| InChI | InChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13) |
| InChI Key | YDPHJPDQTIHHKC-UHFFFAOYSA-N |
| MDL Number | MFCD03697361 |
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.2370 |
| SMILES | CSC1N2C(C=CC=C2)=C(C(O)=O)N=1 |
| Synonyms | 3-(methylsulfanyl)imidazo[1,5-a]pyridine-1-carboxylic acid,
76259-06-8,
AC1Q4H3D,
CTK7B5243,
ZINC8717018,
AKOS022649397,
NE12560,
EN300-52188,
Z752371220,
CID11837347,
AI-204/41491649,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.235g/mol |
| Monoisotopic Mass | 208.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number