| CAS Number | 145026-07-9 |
| Catalog Number | AG00HXCM(AGN-PC-006RII) |
| Chemical Name | Sulfoximine, S-(4-bromophenyl)-S-methyl- |
| IUPAC Name | (4-bromophenyl)-imino-methyl-oxo-λ6-sulfane |
| InChI | InChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,9H,1H3 |
| InChI Key | VFSHUOASIOCCAA-UHFFFAOYSA-N |
| MDL Number | MFCD28991859 |
| Molecular Formula | C7H8BrNOS |
| Molecular Weight | 234.1135 |
| SMILES | Brc1ccc(cc1)S(=O)(=N)C |
| Synonyms | 1-Bromo-4-(S-methylsulfonimidoyl)benzene,
145026-07-9,
(4-bromophenyl)(imino)methyl-lambda6-sulfanone,
4-bromophenyl-methylsulfoximine,
SCHEMBL9628601,
VFSHUOASIOCCAA-UHFFFAOYSA-N,
MFCD28991859,
AKOS027255700,
S-(4-bromophenyl)-S-methylsulfoximine,
S-(4-Bromophenyl)-S-methylsulfoximide,
SS-4989,
S-(4-Bromophenyl)-S-methyl-sulfoximine,
Sulfoximine, S-(4-bromophenyl)-S-methyl-,
CS-0038324,
(4-bromophenyl)-imino-methyl-oxo-$l^{6}-sulfane,
1-bromo-4-(methylsulfonimidoyl)benzene,
CID11322250,
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| Complexity | 227 |
| 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 | 2.4 |
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Certificate of Analysis
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