| CAS Number | 1609395-62-1 |
| Catalog Number | AG00J26V |
| Chemical Name | 7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid hydrate |
| IUPAC Name | 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid;hydrate |
| InChI | InChI=1S/C7H4N2O3S.H2O/c10-5-3-4(6(11)12)9-1-2-13-7(9)8-5;/h1-3H,(H,11,12);1H2 |
| InChI Key | ISMXAIYURBFCQS-UHFFFAOYSA-N |
| MDL Number | MFCD12827515 |
| Molecular Formula | C7H6N2O4S |
| Molecular Weight | 214.1985 |
| SMILES | C12SC=CN1C(C(O)=O)=CC(=O)N=2.O |
| Synonyms | 7-Oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid hydrate,
1609395-62-1,
ZX-CM008384,
MFCD26959366,
33304-84-6,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.195g/mol |
| Monoisotopic Mass | 214.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number