| CAS Number | 2094152-28-8 |
| Catalog Number | AG01E8U4 |
| Chemical Name | potassium 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate |
| IUPAC Name | potassium;2-[2-(butylamino)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C9H14N2O2S.K/c1-2-3-4-10-9-11-7(6-14-9)5-8(12)13;/h6H,2-5H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1 |
| InChI Key | JBSJLFPVJLGSSG-UHFFFAOYSA-M |
| MDL Number | MFCD30730685 |
| Molecular Formula | C9H13KN2O2S |
| Molecular Weight | 252.375 |
| SMILES | [K+].CCCCNC1SC=C(CC([O-])=O)N=1 |
| Synonyms | potassium 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate,
Z2755724022,
2094152-28-8,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.373g/mol |
| Monoisotopic Mass | 252.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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