| CAS Number | 1823549-91-2 |
| Catalog Number | AG01F2H4(AGN-PC-3H48MC) |
| Chemical Name | 5-Methyl-7-hydroxypyrazolo-[1,5-a]pyrimidine-3-thiocarboxamide |
| IUPAC Name | 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide |
| InChI | InChI=1S/C8H8N4OS/c1-4-2-6(13)12-8(11-4)5(3-10-12)7(9)14/h2-3,10H,1H3,(H2,9,14) |
| InChI Key | HAKALASGPYAFLP-UHFFFAOYSA-N |
| MDL Number | MFCD28166205 |
| Molecular Formula | C8H8N4OS |
| Molecular Weight | 208.2403 |
| SMILES | C(C1=C2N(N=C1)C(O)=CC(C)=N2)(=S)N |
| Synonyms | 5-Methyl-7-hydroxypyrazolo-[1,5-a]pyrimidine-3-thiocarboxamide,
1823549-91-2,
ZINC263620157,
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbothioamide,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.041882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.24g/mol |
| Monoisotopic Mass | 208.041882g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 103Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number