| CAS Number | 87328-92-5 |
| Catalog Number | AG01A3JJ(AGN-PC-0VCCOF) |
| Chemical Name | Sodium 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
| IUPAC Name | sodium;2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
| InChI | InChI=1S/C5H4N2O3S.Na/c6-5-7-2(1-11-5)3(8)4(9)10;/h1H,(H2,6,7)(H,9,10);/q;+1/p-1 |
| InChI Key | SXMRGZZITXGQPN-UHFFFAOYSA-M |
| MDL Number | MFCD20717659 |
| Molecular Formula | C5H3N2NaO3S |
| Molecular Weight | 194.1437 |
| SMILES | [Na+].NC1SC=C(C(C([O-])=O)=O)N=1 |
| Synonyms | sodium 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate,
87328-92-5,
AKOS026728932,
MCULE-9462545737,
Z1815149155,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.14g/mol |
| Monoisotopic Mass | 193.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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