| CAS Number | 833459-47-5 |
| Catalog Number | AG01BAJ7(AGN-PC-005C4B) |
| Chemical Name | (2-Bromophenyl)(imino)methyl-lambda6-sulfanone |
| IUPAC Name | (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane |
| InChI | InChI=1S/C7H8BrNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3 |
| InChI Key | AQOLYXWOVMNOER-UHFFFAOYSA-N |
| MDL Number | MFCD28968129 |
| Molecular Formula | C7H8BrNOS |
| Molecular Weight | 234.1135 |
| SMILES | CS(C1=C(Br)C=CC=C1)(=O)=N |
| Synonyms | 833459-47-5,
S-Methyl-S-(2-bromophenyl)sulfoximine,
(2-bromophenyl)(imino)methyl-lambda-sulfanone,
1-bromo-2-(methylsulfonimidoyl)benzene,
CID11253292,
(2-bromophenyl)(imino)methyl-lambda6-sulfanone,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.111g/mol |
| Monoisotopic Mass | 232.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number