| CAS Number | 1889-63-0 |
| Catalog Number | AG00ADX7 |
| Chemical Name | S-Ethyl-s-phenyl sulfoximine |
| IUPAC Name | ethyl-imino-oxo-phenyl-λ6-sulfane |
| InChI | InChI=1S/C8H11NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChI Key | AQERBDXVCFTGGY-UHFFFAOYSA-N |
| MDL Number | MFCD09878519 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | O=S(C1=CC=CC=C1)(CC)=N |
| Synonyms | S-Ethyl-S-phenyl sulfoximine,
1889-63-0,
S-Phenyl-S-ethylsulfoximine,
SCHEMBL3635347,
Sulfoximine, S-ethyl-S-phenyl-,
AKOS006311403,
|
| Complexity | 212 |
| 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 | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number