| CAS Number | 1989659-69-9 |
| Catalog Number | AG01B6UM |
| Chemical Name | 7-chloro-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine |
| IUPAC Name | 7-chloro-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine |
| InChI | InChI=1S/C11H6ClN3S/c12-11-10-9(13-6-14-11)8(15-16-10)7-4-2-1-3-5-7/h1-6H |
| InChI Key | ZYOZOMVXVMXRND-UHFFFAOYSA-N |
| MDL Number | MFCD08898705 |
| Molecular Formula | C11H6ClN3S |
| Molecular Weight | 247.7034 |
| SMILES | ClC1=C2C(C(C3=CC=CC=C3)=NS2)=NC=N1 |
| Synonyms | 7-chloro-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine,
1989659-69-9,
ZINC253495140,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.7g/mol |
| Monoisotopic Mass | 246.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number