| CAS Number | 1955524-05-6 |
| Catalog Number | AG01B4XB |
| Chemical Name | 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C6H7F3N2S.ClH/c1-3(10)4-2-11-5(12-4)6(7,8)9;/h2-3H,10H2,1H3;1H |
| InChI Key | TWKRAZDMGZWNRH-UHFFFAOYSA-N |
| MDL Number | MFCD29991826 |
| Molecular Formula | C6H8ClF3N2S |
| Molecular Weight | 232.6543 |
| SMILES | Cl.CC(C1SC(C(F)(F)F)=NC=1)N |
| Synonyms | 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride,
1955524-05-6,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.649g/mol |
| Monoisotopic Mass | 232.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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