| CAS Number | 336105-31-8 |
| Catalog Number | AG019F2E(AGN-PC-0R95BT) |
| Chemical Name | (R)-N-((S)-1-(4-Bromophenyl)-2,2,2-Trifluoroethyl)-2-Methylpropane-2-Sulfinamide |
| IUPAC Name | (R)-N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide |
| InChI | InChI=1S/C12H15BrF3NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19+/m0/s1 |
| InChI Key | YUXQSZNZGIKWCP-APBUJDDRSA-N |
| MDL Number | MFCD30472008 |
| Molecular Formula | C12H15BrF3NOS |
| Molecular Weight | 358.2178 |
| SMILES | BrC1=CC=C(C=C1)[C@@H](C(F)(F)F)N[S@](=O)C(C)(C)C |
| Synonyms | (R)-N-((S)-1-(4-BROMOPHENYL)-2,2,2-TRIFLUOROETHYL)-2-METHYLPROPANE-2-SULFINAMIDE,
336105-31-8,
SCHEMBL15140000,
YUXQSZNZGIKWCP-APBUJDDRSA-N,
MFCD30472008,
AKOS030628286,
ZINC215672869,
CS-0036319,
N-[(1S)-1-(4-Bromophenyl)-2,2,2-trifluoro-ethyl]-(R)-2-methyl-propane-2-sulfinamide,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.217g/mol |
| Monoisotopic Mass | 357.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number