| CAS Number | 1798779-06-2 |
| Catalog Number | AG01BF7K |
| Chemical Name | 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine hydrobromide |
| IUPAC Name | 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide |
| InChI | InChI=1S/C11H9F3N2S.BrH/c1-5-8(17-11(15)16-5)4-6-2-3-7(12)10(14)9(6)13;/h2-3H,4H2,1H3,(H2,15,16);1H |
| InChI Key | MPWBYPWGZTZLKQ-UHFFFAOYSA-N |
| MDL Number | MFCD28118510 |
| Molecular Formula | C11H10BrF3N2S |
| Molecular Weight | 339.1747 |
| SMILES | Br.CC1=C(CC2=C(F)C(F)=C(F)C=C2)SC(N)=N1 |
| Synonyms | 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine hydrobromide,
1798779-06-2,
Z1889917160,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.174g/mol |
| Monoisotopic Mass | 337.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number