| CAS Number | 1154677-77-6 |
| Catalog Number | AG01A10K(AGN-PC-0WBKA5) |
| Chemical Name | 5-(2,2,2-Trifluoroethyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10) |
| InChI Key | CDSRXGMMNMKIAT-UHFFFAOYSA-N |
| MDL Number | MFCD12104394 |
| Molecular Formula | C4H4F3N3S |
| Molecular Weight | 183.1549 |
| SMILES | NC1SC(CC(F)(F)F)=NN=1 |
| Synonyms | 5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine,
1154677-77-6,
MFCD12104394,
STL451573,
ZINC36870636,
AKOS009838908,
MCULE-9463006430,
NE27176,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.152g/mol |
| Monoisotopic Mass | 183.008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number