| CAS Number | 1449334-50-2 |
| Catalog Number | AG01A2ZK |
| Chemical Name | 2-(Trifluoromethyl)thiazole |
| IUPAC Name | 2-(trifluoromethyl)-1,3-thiazole |
| InChI | InChI=1S/C4H2F3NS/c5-4(6,7)3-8-1-2-9-3/h1-2H |
| InChI Key | XMXXKSHWUKNLPQ-UHFFFAOYSA-N |
| MDL Number | MFCD26416025 |
| Molecular Formula | C4H2F3NS |
| Molecular Weight | 153.1256 |
| SMILES | FC(C1=NC=CS1)(F)F |
| Synonyms | 2-(trifluoromethyl)-1,3-thiazole,
1449334-50-2,
Thiazole, 2-(trifluoromethyl)-,
trifluoromethylthiazole,
SCHEMBL577437,
XMXXKSHWUKNLPQ-UHFFFAOYSA-N,
ZINC98108640,
NE56798,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.122g/mol |
| Monoisotopic Mass | 152.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number