| CAS Number | 1394040-47-1 |
| Catalog Number | AG019ZSF(AGN-PC-0WOW8E) |
| Chemical Name | 4-amino-1,2-thiazole-3-carboxylic acid dihydrochloride |
| IUPAC Name | 4-amino-1,2-thiazole-3-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C4H4N2O2S.2ClH/c5-2-1-9-6-3(2)4(7)8;;/h1H,5H2,(H,7,8);2*1H |
| InChI Key | SBDRXRJONAKJKN-UHFFFAOYSA-N |
| MDL Number | MFCD22375329 |
| Molecular Formula | C4H6Cl2N2O2S |
| Molecular Weight | 217.0736 |
| SMILES | Cl.Cl.NC1C(C(O)=O)=NSC=1 |
| Synonyms | 4-amino-1,2-thiazole-3-carboxylic acid dihydrochloride,
1394040-47-1,
AKOS026745008,
MCULE-9406187247,
NE48015,
RP27051,
Z1428158832,
4-Aminoisothiazole-3-carboxylic acid,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.064g/mol |
| Monoisotopic Mass | 215.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number