| CAS Number | 15058-19-2 |
| Catalog Number | AG00AON2(AGN-PC-0Q4X4F) |
| Chemical Name | 2-METHYL-2-THIAZOLINE-4-CARBOXYLIC ACID SODIUM SALT |
| IUPAC Name | sodium;2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C5H7NO2S.Na/c1-3-6-4(2-9-3)5(7)8;/h4H,2H2,1H3,(H,7,8);/q;+1/p-1 |
| InChI Key | KDIYEJLRFZLXKU-UHFFFAOYSA-M |
| MDL Number | MFCD03093520 |
| Molecular Formula | C5H7NNaO2S |
| Molecular Weight | 168.1693 |
| SMILES | C(=O)(O)C1N=C(SC1)C.[Na] |
| Synonyms | 15058-19-2,
2-Methyl-2-thiazoline-4-carboxylic acid sodium salt,
Sodium 2-methyl-4,5-dihydrothiazole-4-carboxylate,
Sodium 2-Methyl-4,5-dihydro-1,3-thiazol-4-carboxylate,
sodium 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate,
DTXSID30635768,
AKOS006276366,
AKOS015909318,
FT-0612929,
EN300-120138,
I14-33681,
sodium;2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.158g/mol |
| Monoisotopic Mass | 167.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number