| CAS Number | 1338218-70-4 |
| Catalog Number | AG00HT0O(AGN-PC-0WR1L4) |
| Chemical Name | 5-Chloro-3-([2-(trifluoromethyl)phenyl]methyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole |
| InChI | InChI=1S/C10H6ClF3N2S/c11-9-15-8(16-17-9)5-6-3-1-2-4-7(6)10(12,13)14/h1-4H,5H2 |
| InChI Key | WFQRESQLSSOFHN-UHFFFAOYSA-N |
| MDL Number | MFCD20257106 |
| Molecular Formula | C10H6ClF3N2S |
| Molecular Weight | 278.6812 |
| SMILES | Clc1snc(n1)Cc1ccccc1C(F)(F)F |
| Synonyms | 5-chloro-3-{[2-(trifluoromethyl)phenyl]methyl}-1,2,4-thiadiazole,
1338218-70-4,
5-Chloro-3-([2-(trifluoromethyl)phenyl]methyl)-1,2,4-thiadiazole,
MFCD20257106,
ZINC71787770,
PC404624,
T6370,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.677g/mol |
| Monoisotopic Mass | 277.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number