| CAS Number | 2032282-97-4 |
| Catalog Number | AG01EQFP(AGN-PC-3H47A5) |
| Chemical Name | Rbin-2-Ribozinoindole-2 |
| IUPAC Name | 7-bromo-3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole |
| InChI | InChI=1S/C13H11BrN4S/c1-7(2)6-19-13-16-12-11(17-18-13)9-4-3-8(14)5-10(9)15-12/h3-5H,1,6H2,2H3,(H,15,16,18) |
| InChI Key | OVDAOBDZJJZJMY-UHFFFAOYSA-N |
| MDL Number | MFCD30723187 |
| Molecular Formula | C13H11BrN4S |
| Molecular Weight | 335.2222 |
| SMILES | N1C2=C(C=CC(Br)=C2)C2=NN=C(SCC(C)=C)N=C12 |
| Synonyms | Ribozinoindole-2,
Rbin-2,
Rbin-2, >=98% (HPLC),
7-Bromo-3-(2-methylallylthio)-5H-[1,2,4]triazino[5,6-b]indole,
2032282-97-4,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.223g/mol |
| Monoisotopic Mass | 333.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number