| CAS Number | 2044713-03-1 |
| Catalog Number | AG01BXLO |
| Chemical Name | Lithium(1+) ion 2-{2-[(pentan-3-yl)amino]-1,3-thiazol-4-yl}acetate |
| IUPAC Name | lithium;2-[2-(pentan-3-ylamino)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C10H16N2O2S.Li/c1-3-7(4-2)11-10-12-8(6-15-10)5-9(13)14;/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14);/q;+1/p-1 |
| InChI Key | UVQXZEAZWAWTJK-UHFFFAOYSA-M |
| MDL Number | MFCD30487863 |
| Molecular Formula | C10H15LiN2O2S |
| Molecular Weight | 234.2443 |
| SMILES | [Li+].CCC(NC1SC=C(CC([O-])=O)N=1)CC |
| Synonyms | lithium(1+) ion 2-{2-[(pentan-3-yl)amino]-1,3-thiazol-4-yl}acetate,
2044713-03-1,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.242g/mol |
| Monoisotopic Mass | 234.101g/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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