| CAS Number | 95414-68-9 |
| Catalog Number | AG01C1L1(AGN-PC-00PSF4) |
| Chemical Name | Imino(phenyl)(trifluoromethyl)-lambda6-sulfanone |
| IUPAC Name | imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane |
| InChI | InChI=1S/C7H6F3NOS/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5,11H |
| InChI Key | OWOIUZZQTKKJGH-UHFFFAOYSA-N |
| MDL Number | MFCD29762664 |
| Molecular Formula | C7H6F3NOS |
| Molecular Weight | 209.1888 |
| SMILES | FC(S(C1=CC=CC=C1)(=O)=N)(F)F |
| Synonyms | imino(phenyl)(trifluoromethyl)-lambda6-sulfanone,
95414-68-9,
SCHEMBL16555631,
S-(Trifluoromethyl)-S-phenylsulfoximine,
(S-(trifluoromethyl)sulfonimidoyl)benzene,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.186g/mol |
| Monoisotopic Mass | 209.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number