| CAS Number | 1421263-27-5 |
| Catalog Number | AG01FAYX(AGN-PC-3H49HB) |
| Chemical Name | Pyrazolo[1,5-a]pyrimidine-3-carbothioamide |
| IUPAC Name | pyrazolo[1,5-a]pyrimidine-3-carbothioamide |
| InChI | InChI=1S/C7H6N4S/c8-6(12)5-4-10-11-3-1-2-9-7(5)11/h1-4H,(H2,8,12) |
| InChI Key | SQCMCBNIRYVBTG-UHFFFAOYSA-N |
| MDL Number | MFCD22682952 |
| Molecular Formula | C7H6N4S |
| Molecular Weight | 178.2143 |
| SMILES | N1=CC(=C2N1C=CC=N2)C(N)=S |
| Synonyms | Pyrazolo[1,5-a]pyrimidine-3-thiocarboxamide,
MFCD22682952,
1421263-27-5,
ZINC84846978,
AKOS027440161,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.213g/mol |
| Monoisotopic Mass | 178.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number