| CAS Number | 642081-23-0 |
| Catalog Number | AG019R7B(AGN-PC-0WO7Y4) |
| Chemical Name | 2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-amine |
| IUPAC Name | 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine |
| InChI | InChI=1S/C6H7F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1-2,10H2 |
| InChI Key | UUQGMRVOPDQCHI-UHFFFAOYSA-N |
| MDL Number | MFCD05221347 |
| Molecular Formula | C6H7F3N2S |
| Molecular Weight | 196.1934 |
| SMILES | NCCC1SC=C(C(F)(F)F)N=1 |
| Synonyms | 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-amine,
642081-23-0,
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine,
AC1N1O20,
AC1Q54C8,
SCHEMBL19370158,
CTK7E7685,
ZINC3708396,
AKOS009569422,
MCULE-4949891525,
NE24027,
EN300-89169,
Z1272684551,
CID4033439,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.191g/mol |
| Monoisotopic Mass | 196.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number