| CAS Number | 22132-97-4 |
| Catalog Number | AG00C342(AGN-PC-04WBEP) |
| Chemical Name | S-Methyl-S-(4-methylphenyl)sulfoximine |
| IUPAC Name | imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane |
| InChI | InChI=1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3 |
| InChI Key | XOMQMMJNWFJFBZ-UHFFFAOYSA-N |
| MDL Number | MFCD00102067 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| NSC Number | 172827 |
| SMILES | O=S(C1=CC=C(C)C=C1)(C)=N |
| Synonyms | 22132-97-4,
imino(methyl)(4-methylphenyl)-lambda6-sulfanone,
S-Methyl-S-(4-methylphenyl) sulfoximine,
NSC172827,
AC1L6UUA,
S-Methyl-S-p-tolylsulfoximide,
SCHEMBL488382,
DTXSID00305941,
KS-00002BH0,
imino-methyl-(4-methylphenyl)-oxo-,
AKOS006274399,
NSC-172827,
SS-4987,
1-(S-Methanesulfonimidoyl)-4-methylbenzene,
Sulfoximine, S-methyl-S-(4-methylphenyl)-,
CID299578,
S-Methyl-S-(4-methylphenyl) sulfoximine, 95% - 250MG 250mg,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number