| CAS Number | 109139-20-0 |
| Catalog Number | AG008WHQ(AGN-PC-00NG96) |
| Chemical Name | S-trifluoromethyl-p-fluorophenylsulfoximine |
| IUPAC Name | (4-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane |
| InChI | InChI=1S/C7H5F4NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H |
| InChI Key | ZHIJDUORJHKUMW-UHFFFAOYSA-N |
| MDL Number | MFCD16660921 |
| Molecular Formula | C7H5F4NOS |
| Molecular Weight | 227.1793 |
| SMILES | FC1=CC=C(S(C(F)(F)F)(=O)=N)C=C1 |
| Synonyms | 109139-20-0,
(4-Fluorophenyl)(imino)(trifluoromethyl)-lambda6-sulfanone,
S-Trifluoromethyl-p-fluorophenylsulfoximine,
S-(4-fluorophenyl)-S-(trifluoromethyl)Sulfoximine,
SCHEMBL2326357,
ZHIJDUORJHKUMW-UHFFFAOYSA-N,
DB-059811,
FT-0754115,
1-fluoro-4-[S-(trifluoromethyl)sulfonimidoyl]benzene,
1-fluoro-4-[S-(trifluoromethyl)sulphonimidoyl]benzene,
(4-fluorophenyl)(imino)(trifluoromethyl)-lambda-sulfanone,
S-Trifluoromethyl-S-(p-fluorophenyl) sulfoximine, 95% - 1G 1g,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.177g/mol |
| Monoisotopic Mass | 227.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number