| CAS Number | 1955524-56-7 |
| Catalog Number | AG01B5PZ |
| Chemical Name | potassium 5-[(2-methylphenyl)amino]-1,3-thiazole-4-carboxylate |
| IUPAC Name | potassium;5-(2-methylanilino)-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C11H10N2O2S.K/c1-7-4-2-3-5-8(7)13-10-9(11(14)15)12-6-16-10;/h2-6,13H,1H3,(H,14,15);/q;+1/p-1 |
| InChI Key | IULICHWEFULGFR-UHFFFAOYSA-M |
| MDL Number | MFCD30181195 |
| Molecular Formula | C11H9KN2O2S |
| Molecular Weight | 272.3647 |
| SMILES | [K+].CC1=C(NC2=C(C([O-])=O)N=CS2)C=CC=C1 |
| Synonyms | potassium 5-[(2-methylphenyl)amino]-1,3-thiazole-4-carboxylate,
1955524-56-7,
Z2568751821,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.363g/mol |
| Monoisotopic Mass | 272.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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