| CAS Number | 1909325-11-6 |
| Catalog Number | AG01C12D |
| Chemical Name | 3-cyanopyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride |
| IUPAC Name | 3-cyanopyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride |
| InChI | InChI=1S/C7H3ClN4O2S/c8-15(13,14)6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H |
| InChI Key | RUVOQFSSAYPIGH-UHFFFAOYSA-N |
| MDL Number | MFCD29054862 |
| Molecular Formula | C7H3ClN4O2S |
| Molecular Weight | 242.6423 |
| SMILES | ClS(C1=CN2C(=C(C=N2)C#N)N=C1)(=O)=O |
| Synonyms | 3-cyanopyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride,
1909325-11-6,
ZINC299805516,
EN300-245662,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.637g/mol |
| Monoisotopic Mass | 241.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number