| CAS Number | 1221724-81-7 |
| Catalog Number | AG009JWT(AGN-PC-0WO6RP) |
| Chemical Name | Sodium 4-isopropylthiazole-2-carboxylate |
| IUPAC Name | sodium;4-propan-2-yl-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C7H9NO2S.Na/c1-4(2)5-3-11-6(8-5)7(9)10;/h3-4H,1-2H3,(H,9,10);/q;+1/p-1 |
| InChI Key | UKZMRAIJGFRCSW-UHFFFAOYSA-M |
| MDL Number | MFCD14705708 |
| Molecular Formula | C7H8NNaO2S |
| Molecular Weight | 193.1987 |
| SMILES | [Na+].CC(C1N=C(C([O-])=O)SC=1)C |
| Synonyms | sodium 4-(propan-2-yl)-1,3-thiazole-2-carboxylate,
1221724-81-7,
sodium 4-isopropylthiazole-2-carboxylate,
AC1Q1VOI,
CTK6A5993,
AKOS008151625,
MCULE-9430085393,
NE58441,
Sodium?4-isopropylthiazole-2-carboxylate,
EN300-58956,
Z910843330,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.196g/mol |
| Monoisotopic Mass | 193.017g/mol |
| Rotatable Bond Count | 2 |
| 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