| CAS Number | 1221724-02-2 |
| Catalog Number | AG01A88R |
| Chemical Name | 5-(morpholin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 3-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C8H11F3N4OS/c9-8(10,11)5-15-6(12-13-7(15)17)14-1-3-16-4-2-14/h1-5H2,(H,13,17) |
| InChI Key | MNGPUZWMHAEQNH-UHFFFAOYSA-N |
| MDL Number | MFCD26143892 |
| Molecular Formula | C8H11F3N4OS |
| Molecular Weight | 268.2593 |
| SMILES | FC(CN1C(N2CCOCC2)=NN=C1S)(F)F |
| Synonyms | 5-(morpholin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol,
1221724-02-2,
3-(morpholin-4-yl)-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione,
AC1Q4K73,
CTK7B7130,
ZINC47843868,
AKOS034784277,
MCULE-1236709198,
NE24093,
EN300-61037,
Z993991120,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.258g/mol |
| Monoisotopic Mass | 268.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number