| CAS Number | 186249-74-1 |
| Catalog Number | AG00IXG7(AGN-PC-0QF8CH) |
| Chemical Name | (S)-2-methyl-N-[(1E)-phenylmethylidene]propane-2-sulfinamide |
| IUPAC Name | (S)-N-benzylidene-2-methylpropane-2-sulfinamide |
| InChI | InChI=1S/C11H15NOS/c1-11(2,3)14(13)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/t14-/m0/s1 |
| InChI Key | KHEXSXPVKHWNOZ-AWEZNQCLSA-N |
| MDL Number | MFCD18736974 |
| Molecular Formula | C11H15NOS |
| Molecular Weight | 209.3079 |
| SMILES | S(=O)(N=CC1(=CC=CC=C1))C(C)(C)C |
| Synonyms | (S)-N-benzylidene-2-methylpropane-2-sulfinamide,
(S)-N-benzylidene-2-methylpropane-2-sulfinamide,
186249-74-1,
(S)-2-methyl-N-[(1E)-phenylmethylidene]propane-2-sulfinamide,
KHEXSXPVKHWNOZ-TZIYXEQSSA-N,
KS-000029SU,
ZINC38252062,
AKOS030241658,
(S,E)-N-benzylidene-2-methylpropane-2-sulfinamide,
(S)-(-)-N-benzylidene-2-methylpropane-2-sulfinamide,
862776-58-7,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.307g/mol |
| Monoisotopic Mass | 209.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number