| CAS Number | 1310877-37-2 |
| Catalog Number | AG01DJML |
| Chemical Name | (R)-N-(1-(4-Bromothiophen-2-Yl)Ethylidene)-2-Methylpropane-2-Sulfinamide |
| IUPAC Name | (NE,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide |
| InChI | InChI=1S/C10H14BrNOS2/c1-7(9-5-8(11)6-14-9)12-15(13)10(2,3)4/h5-6H,1-4H3/b12-7+/t15-/m1/s1 |
| InChI Key | WTQPLQZJNABROQ-CUXKMMBLSA-N |
| MDL Number | MFCD30472126 |
| Molecular Formula | C10H14BrNOS2 |
| Molecular Weight | 308.2583 |
| SMILES | CC(=N/[S@](=O)C(C)(C)C)c1cc(Br)cs1 |
| Synonyms | (R)-N-(1-(4-Bromothiophen-2-yl)ethylidene)-2-methylpropane-2-sulfinamide,
SCHEMBL11890640,
SCHEMBL16583702,
1310877-37-2,
MFCD30472126,
AKOS030628421,
CS-0039362,
(R,E)-N-(1-(4-Bromothiophen-2-yl)ethylidene)-2-methylpropane-2-sulfinamide,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 306.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.252g/mol |
| Monoisotopic Mass | 306.97g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number