| CAS Number | 77970-95-7 |
| Catalog Number | AG00G57M(AGN-PC-0NJ227) |
| Chemical Name | S-Methyl-S-(4-methoxyphenyl) sulfoximine |
| IUPAC Name | imino-(4-methoxyphenyl)-methyl-oxo-λ6-sulfane |
| InChI | InChI=1S/C8H11NO2S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6,9H,1-2H3 |
| InChI Key | VLNKBRMXGWEJFX-UHFFFAOYSA-N |
| MDL Number | MFCD09878523 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | N=S(=O)(C)C1=CC=C(C=C1)OC |
| Synonyms | 77970-95-7,
Imino(4-methoxyphenyl)(methyl)-lambda6-sulfanone,
S-METHYL-S-(4-METHOXYPHENYL) SULFOXIMINE,
SCHEMBL486987,
VLNKBRMXGWEJFX-UHFFFAOYSA-N,
MFCD09878523,
AKOS006311406,
s-(4-methoxyphenyl)-s-methylsulfoximine,
Imino(4-methoxyphenyl)(methyl)-sulfanone,
S-(4-methoxyphenyl)-S-methyl-sulfoximine,
Sulfoximine, S-(4-methoxyphenyl)-S-methyl-,
1-methoxy-4-(S-methylsulfonimidoyl)benzene,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number