| CAS Number | 1803598-34-6 |
| Catalog Number | AG01BHOV(AGN-PC-0WOQQB) |
| Chemical Name | sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate |
| IUPAC Name | sodium;5-tert-butyl-1,3,4-thiadiazole-2-carboxylate |
| InChI | InChI=1S/C7H10N2O2S.Na/c1-7(2,3)6-9-8-4(12-6)5(10)11;/h1-3H3,(H,10,11);/q;+1/p-1 |
| InChI Key | MMVXUXGVDFEKBJ-UHFFFAOYSA-M |
| MDL Number | MFCD28145356 |
| Molecular Formula | C7H9N2NaO2S |
| Molecular Weight | 208.2133 |
| SMILES | [Na+].CC(C1SC(C([O-])=O)=NN=1)(C)C |
| Synonyms | sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate,
1803598-34-6,
SCHEMBL17646008,
AKOS026741242,
Z1966571248,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.211g/mol |
| Monoisotopic Mass | 208.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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