| CAS Number | 1208701-04-5 |
| Catalog Number | AG019WR8(AGN-PC-0WOAHS) |
| Chemical Name | 2,2,2-trifluoroethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate |
| InChI | InChI=1S/C8H8F3N3O2S/c9-8(10,11)3-16-7(15)12-6-14-13-5(17-6)4-1-2-4/h4H,1-3H2,(H,12,14,15) |
| InChI Key | WUORKNDYMQJOHJ-UHFFFAOYSA-N |
| MDL Number | MFCD13195858 |
| Molecular Formula | C8H8F3N3O2S |
| Molecular Weight | 267.2282 |
| SMILES | FC(COC(NC1SC(C2CC2)=NN=1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate,
1208701-04-5,
EN300-52885,
AC1Q4KAS,
CTK7G8304,
ZINC95908793,
AKOS026729444,
MCULE-8531942810,
NE61830,
Z815264202,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.226g/mol |
| Monoisotopic Mass | 267.029g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number