| CAS Number | 851513-47-8 |
| Catalog Number | AG00IVIG(AGN-PC-0UY63X) |
| Chemical Name | (S)-N-[(1E)-(4-Chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide |
| IUPAC Name | (S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide |
| InChI | InChI=1S/C11H14ClNOS/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 | YQAZHKMIBKHOJC-HNNXBMFYSA-N |
| MDL Number | MFCD18781478 |
| Molecular Formula | C11H14ClNOS |
| Molecular Weight | 243.7530 |
| SMILES | ClC1=CC=C(C=C1)\C=N\[S@@](=O)C(C)(C)C |
| Synonyms | 851513-47-8,
(S)-N-(4-chlorobenzylidene)-2-methylpropane-2-sulfinamide,
(S)-N-[(1E)-(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide,
ZINC36457150,
AKOS030242884,
KS-000029T8,
(S)-N-(tert-butylsulfinyl)-p-chlorobenzylideneamine,
1207946-36-8,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.749g/mol |
| Monoisotopic Mass | 243.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number