| CAS Number | 856562-51-1 |
| Catalog Number | AG00IVIF(AGN-PC-0V1NTV) |
| Chemical Name | (S)-N-(4-Bromobenzylidene)-2-methylpropane-2-sulfinamide |
| IUPAC Name | (S)-N-[(4-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide |
| InChI | InChI=1S/C11H14BrNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/t15-/m0/s1 |
| InChI Key | LDRVYZUIUHRGAW-HNNXBMFYSA-N |
| MDL Number | MFCD18737144 |
| Molecular Formula | C11H14BrNOS |
| Molecular Weight | 288.2040 |
| SMILES | [Br]C1(=CC=C(C=NS(=O)C(C)(C)C)C=C1) |
| Synonyms | 856562-51-1,
(S)-N-(4-bromobenzylidene)-2-methylpropane-2-sulfinamide,
(S)-N-[(1E)-(4-bromophenyl)methylidene]-2-methylpropane-2-sulfinamide,
LDRVYZUIUHRGAW-NRUITVPNSA-N,
AKOS030243049,
ZINC141565669,
KS-000029T7,
(S,E)-N-(4-bromobenzylidene)-2-methylpropane-2-sulfinamide,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.203g/mol |
| Monoisotopic Mass | 286.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number