| CAS Number | 1197741-10-8 |
| Catalog Number | AG019WWE(AGN-PC-0WCN2W) |
| Chemical Name | 2,2,2-trifluoroethyl N-(1,3-thiazol-2-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(1,3-thiazol-2-yl)carbamate |
| InChI | InChI=1S/C6H5F3N2O2S/c7-6(8,9)3-13-5(12)11-4-10-1-2-14-4/h1-2H,3H2,(H,10,11,12) |
| InChI Key | SCKXDWMZFBAHQS-UHFFFAOYSA-N |
| MDL Number | MFCD13195871 |
| Molecular Formula | C6H5F3N2O2S |
| Molecular Weight | 226.1763 |
| SMILES | FC(COC(NC1SC=CN=1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(1,3-thiazol-2-yl)carbamate,
1197741-10-8,
AC1Q4KAO,
CTK7G8292,
ZINC38342177,
AKOS009101821,
MCULE-6701453562,
NE62520,
EN300-53333,
F2147-1729,
Z810541810,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.173g/mol |
| Monoisotopic Mass | 226.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number