| CAS Number | 40739-81-9 |
| Catalog Number | AG01CDZB(AGN-PC-0JV86O) |
| Chemical Name | N'1-(4-methylbenzylidene)-4-methylbenzene-1-sulfonohydrazide |
| IUPAC Name | 4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide |
| InChI | InChI=1S/C15H16N2O2S/c1-12-3-7-14(8-4-12)11-16-17-20(18,19)15-9-5-13(2)6-10-15/h3-11,17H,1-2H3/b16-11+ |
| InChI Key | ZCEQOHNBFVBUNC-LFIBNONCSA-N |
| MDL Number | MFCD00161059 |
| Molecular Formula | C15H16N2O2S |
| Molecular Weight | 288.3647 |
| SMILES | c1c(ccc(c1)/C=N/NS(=O)(=O)c1ccc(cc1)C)C |
| Synonyms | 40739-81-9,
AC1NSWG5,
HMS543E20,
CCG-11465,
ZINC32561920,
AKOS000979928,
BIM-0020651.P001,
ST50684597,
N'1-(4-methylbenzylidene)-4-methylbenzene-1-sulfonohydrazide,
4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide,
[(1E)-2-(4-methylphenyl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine,
4-Methyl-N'-[(1E)-(4-methylphenyl)methylidene]benzene-1-sulfonohydrazide,
ZINC00094365,
CID5340781,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 288.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.365g/mol |
| Monoisotopic Mass | 288.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number