| CAS Number | 1221722-48-0 |
| Catalog Number | AG01A83O(AGN-PC-0WO21Y) |
| Chemical Name | sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate |
| IUPAC Name | sodium;2-(4-tert-butyl-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C9H13NO2S.Na/c1-9(2,3)6-5-13-7(10-6)4-8(11)12;/h5H,4H2,1-3H3,(H,11,12);/q;+1/p-1 |
| InChI Key | FWEHHLQBWRQDDN-UHFFFAOYSA-M |
| MDL Number | MFCD15209605 |
| Molecular Formula | C9H12NNaO2S |
| Molecular Weight | 221.2518 |
| SMILES | [Na+].CC(C1N=C(CC([O-])=O)SC=1)(C)C |
| Synonyms | sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate,
1221722-48-0,
AC1Q1VOC,
CTK5I4995,
AKOS008153871,
MCULE-9352860815,
NE31135,
EN300-60640,
Sodium (4-tert-butyl-1,3-thiazol-2-yl)acetate,
Z969560634,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.25g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number