| Catalog Number | ACM99451555 |
| CAS | 99451-55-5 |
| IUPAC Name | 8-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine |
| Synonyms | 8-bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine;99451-55-5;EED226 Intermediates;8-Bromo-5-(methylthio)[1,2,4]triazolo[4,3-c]pyrimidine;MFCD28502491;8-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine;SCHEMBL17841445;AMY16721;ZINC196928636;ACN-051250;SB23242;AC-29953;AK549994;PS-11604;SY032089;CS-0132027 |
| Molecular Weight | 245.10g/mol |
| Molecular Formula | C6H5BrN4S |
| Canonical SMILES | CSC1=NC=C(C2=NN=CN21)Br |
| InChI | InChI=1S/C6H5BrN4S/c1-12-6-8-2-4(7)5-10-9-3-11(5)6/h2-3H,1H3 |
| InChI Key | PYXSQRIHTWWWIN-UHFFFAOYSA-N |
| Complexity | 170 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 243.94183g/mol |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 243.94183g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.4Ų |
| X Log P3 | 2.1 |