| CAS Number | 156377-70-7 |
| Catalog Number | AG01A7YL(AGN-PC-0WO0JQ) |
| Chemical Name | 5-[(2,2,2-Trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-(2,2,2-trifluoroethylamino)-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C4H4F3N3S2/c5-4(6,7)1-8-2-9-10-3(11)12-2/h1H2,(H,8,9)(H,10,11) |
| InChI Key | CCXVNUIBDLAADX-UHFFFAOYSA-N |
| MDL Number | MFCD11201170 |
| Molecular Formula | C4H4F3N3S2 |
| Molecular Weight | 215.2199 |
| SMILES | FC(CNC1SC(S)=NN=1)(F)F |
| Synonyms | 5-[(2,2,2-trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol,
156377-70-7,
AC1Q4K7X,
CTK7B7186,
ZINC20581738,
AKOS009271596,
MCULE-8383834706,
NE21971,
EN300-60197,
Z969560144,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.212g/mol |
| Monoisotopic Mass | 214.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number