| CAS Number | 2137804-12-5 |
| Catalog Number | AG01CABS |
| Chemical Name | lithium(1+) ion 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate |
| IUPAC Name | lithium;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate |
| InChI | InChI=1S/C12H16N2O4S.Li/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)13-9(19-8)10(15)16;/h4-6H2,1-3H3,(H,15,16);/q;+1/p-1 |
| InChI Key | UAQKAFMEHYATQQ-UHFFFAOYSA-M |
| MDL Number | MFCD31457161 |
| Molecular Formula | C12H15LiN2O4S |
| Molecular Weight | 290.2645 |
| SMILES | [Li+].CC(OC(N1CC2=C(SC(C([O-])=O)=N2)CC1)=O)(C)C |
| Synonyms | 2137804-12-5,
lithium(1+) ion 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate,
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| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.262g/mol |
| Monoisotopic Mass | 290.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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