| CAS Number | 22133-01-3 |
| Catalog Number | AG00IVXB(AGN-PC-0NJ229) |
| Chemical Name | Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone |
| IUPAC Name | imino-methyl-(4-nitrophenyl)-oxo-λ6-sulfane |
| InChI | InChI=1S/C7H8N2O3S/c1-13(8,12)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3 |
| InChI Key | OSHPSKAPWFEQST-UHFFFAOYSA-N |
| MDL Number | MFCD20731165 |
| Molecular Formula | C7H8N2O3S |
| Molecular Weight | 200.2150 |
| SMILES | CS(C1=CC=C([N+]([O-])=O)C=C1)(=O)=N |
| Synonyms | 22133-01-3,
imino(methyl)(4-nitrophenyl)-lambda6-sulfanone,
Sulfoximine, S-methyl-S-(4-nitrophenyl)-,
SCHEMBL486719,
OSHPSKAPWFEQST-UHFFFAOYSA-N,
KS-00002BH1,
AKOS030240536,
s-(4-nitrophenyl)-s-methylsulfoximine,
NE57292,
SS-4988,
1-[imino(methane)sulfinyl]-4-nitrobenzene,
imino(methyl)(4-nitrophenyl)-??-sulfanone,
(RS)-S-(4-nitrophenyl)-S-methylsulfoximide,
(RS)-S-(4-nitrophenyl)-S-methyl sulfoximide,
(RS)-S-(4-nitrophenyl)-S-methylsulphoximide,
imino(methyl)(4-nitrophenyl)-lambda-sulfanone,
imino(methyl)(4-nitrophenyl)-$l;{6}-sulfanone,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.212g/mol |
| Monoisotopic Mass | 200.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number