| CAS Number | 1628604-87-4 |
| Catalog Number | AG01C5H6 |
| Chemical Name | [(3-bromophenyl)imino]dimethyl-lambda6-sulfanone |
| IUPAC Name | (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane |
| InChI | InChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-4-7(9)6-8/h3-6H,1-2H3 |
| InChI Key | CTIMVZSQYDXRAP-UHFFFAOYSA-N |
| MDL Number | MFCD30344806 |
| Molecular Formula | C8H10BrNOS |
| Molecular Weight | 248.1401 |
| SMILES | CS(C)(=O)=NC1=CC=CC(Br)=C1 |
| Synonyms | [(3-bromophenyl)imino]dimethyl-lambda6-sulfanone,
SCHEMBL16043100,
CTIMVZSQYDXRAP-UHFFFAOYSA-N,
ZINC226098759,
(3-bromophenyl)imino-dimethyl-oxo-sulfane,
N-(3-Bromophenyl)-S,S-dimethylsulfoximine,
1628604-87-4,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.138g/mol |
| Monoisotopic Mass | 246.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number