| CAS Number | 329978-21-4 |
| Catalog Number | AG01A7ZN(AGN-PC-0WO9YX) |
| Chemical Name | 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile |
| IUPAC Name | 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile |
| InChI | InChI=1S/C6H3F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1H2 |
| InChI Key | DEYWGGKDOKCYST-UHFFFAOYSA-N |
| MDL Number | MFCD12131293 |
| Molecular Formula | C6H3F3N2S |
| Molecular Weight | 192.1616 |
| SMILES | N#CCC1=NC(C(F)(F)F)=CS1 |
| Synonyms | 329978-21-4,
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile,
2-(4-(Trifluoromethyl)thiazol-2-yl)acetonitrile,
2-[4-(trifluoromethyl)thiazol-2-yl]acetonitrile,
AC1Q4JFL,
2-Thiazoleacetonitrile, 4-(trifluoromethyl)-,
SCHEMBL6497565,
CTK7C9907,
DEYWGGKDOKCYST-UHFFFAOYSA-N,
MFCD12131293,
ZINC35739951,
AKOS009569423,
NE45710,
2-cyanomethyl-4(trifluoromethyl)thiazole,
AS-43884,
(4-trifluoromethyl-thiazol-2-yl)-acetonitrile,
EN300-60285,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.159g/mol |
| Monoisotopic Mass | 191.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number