| CAS Number | 121034-23-9 |
| Catalog Number | AG01B73E |
| Chemical Name | imino(methyl)(2-methylphenyl)-lambda6-sulfanone |
| IUPAC Name | imino-methyl-(2-methylphenyl)-oxo-λ6-sulfane |
| InChI | InChI=1S/C8H11NOS/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6,9H,1-2H3 |
| InChI Key | YXYQWKDOYMFWKK-UHFFFAOYSA-N |
| MDL Number | MFCD30345129 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.244 |
| SMILES | CC1=C(S(C)(=O)=N)C=CC=C1 |
| Synonyms | Imino(methyl)(2-methylphenyl)-lambda6-sulfanone,
121034-23-9,
AC1LD42Q,
SCHEMBL20149699,
imino-methyl-(2-methylphenyl)-oxo-,
S-(2-Methylphenyl)-S-methylsulfoximine,
CID642006,
1-methyl-2-(S-methylsulfonimidoyl)benzene,
|
| Complexity | 230 |
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number