| CAS Number | 1183278-60-5 |
| Catalog Number | AG01BFW8(AGN-PC-0WOW4M) |
| Chemical Name | 5-(5-bromothiophen-2-yl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(5-bromothiophen-2-yl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C7H5BrN4S/c8-6-2-1-5(13-6)4-3-10-12-7(9)11-4/h1-3H,(H2,9,11,12) |
| InChI Key | WMSQKDLGDKFVIN-UHFFFAOYSA-N |
| MDL Number | MFCD12819877 |
| Molecular Formula | C7H5BrN4S |
| Molecular Weight | 257.1104 |
| SMILES | NC1=NC(C2SC(Br)=CC=2)=CN=N1 |
| Synonyms | 5-(5-bromothiophen-2-yl)-1,2,4-triazin-3-amine,
1183278-60-5,
ZINC38002226,
AKOS010226579,
NE51705,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.109g/mol |
| Monoisotopic Mass | 255.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number