| CAS Number | 160600-22-6 |
| Catalog Number | AG00HYLR(AGN-PC-0WG4QB) |
| Chemical Name | Ethyl 5,7-Dihydroxyisothiazolo[4,3-D]Pyrimidine-3-Carboxylate |
| IUPAC Name | ethyl 5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C8H7N3O4S/c1-2-15-7(13)5-3-4(11-16-5)6(12)10-8(14)9-3/h2H2,1H3,(H2,9,10,12,14) |
| InChI Key | ZGYBOXFRGNDLST-UHFFFAOYSA-N |
| MDL Number | MFCD22209674 |
| Molecular Formula | C8H7N3O4S |
| Molecular Weight | 241.2239 |
| SMILES | CCOC(C1=C2C(C(=NC(=N2)O)O)=NS1)=O |
| Synonyms | ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate,
160600-22-6,
MFCD22209674,
ZINC91304593,
AM805662,
CS-0038513,
FT-0718150,
ethyl 5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.221g/mol |
| Monoisotopic Mass | 241.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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