| CAS Number | 639520-25-5 |
| Catalog Number | AG01A7ZZ(AGN-PC-082N9B) |
| Chemical Name | N-(2,2,2-trifluoroethyl)morpholine-4-carbothioamide |
| IUPAC Name | N-(2,2,2-trifluoroethyl)morpholine-4-carbothioamide |
| InChI | InChI=1S/C7H11F3N2OS/c8-7(9,10)5-11-6(14)12-1-3-13-4-2-12/h1-5H2,(H,11,14) |
| InChI Key | OGTSWDQVAYLRSB-UHFFFAOYSA-N |
| MDL Number | MFCD15209568 |
| Molecular Formula | C7H11F3N2OS |
| Molecular Weight | 228.2352 |
| SMILES | FC(CNC(N1CCOCC1)=S)(F)F |
| Synonyms | N-(2,2,2-trifluoroethyl)morpholine-4-carbothioamide,
639520-25-5,
AC1Q4K7T,
CTK8A7307,
OGTSWDQVAYLRSB-UHFFFAOYSA-N,
ZINC47843752,
NE49431,
EN300-60311,
morpholine-4-carbothioic acid (2,2,2-trifluoroethyl)amide,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.233g/mol |
| Monoisotopic Mass | 228.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number