| CAS Number | 1965304-69-1 |
| Catalog Number | AG01F6Y6(AGN-PC-3H4969) |
| Chemical Name | 7-Amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-thiocarboxamide |
| IUPAC Name | 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbothioamide |
| InChI | InChI=1S/C13H11N5S/c14-11-6-10(8-4-2-1-3-5-8)17-13-9(12(15)19)7-16-18(11)13/h1-7H,14H2,(H2,15,19) |
| InChI Key | IZYQZMMFXMLJJN-UHFFFAOYSA-N |
| MDL Number | MFCD28166209 |
| Molecular Formula | C13H11N5S |
| Molecular Weight | 269.3249 |
| SMILES | NC(=S)c1cnn2c1nc(cc2N)c1ccccc1 |
| Synonyms | 7-Amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-thiocarboxamide,
1965304-69-1,
ZINC219038524,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.326g/mol |
| Monoisotopic Mass | 269.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number