| CAS Number | 60672-33-5 |
| Catalog Number | AG01DTT8(AGN-PC-0SX4S2) |
| Chemical Name | 4-methyl-N'-[(1E)-1-(4-methylphenyl)ethylidene]benzene-1-sulfonohydrazide |
| IUPAC Name | 4-methyl-N-[1-(4-methylphenyl)ethylideneamino]benzenesulfonamide |
| InChI | InChI=1S/C16H18N2O2S/c1-12-4-8-15(9-5-12)14(3)17-18-21(19,20)16-10-6-13(2)7-11-16/h4-11,18H,1-3H3 |
| InChI Key | PBRDDISAEJJRRH-UHFFFAOYSA-N |
| MDL Number | MFCD01340361 |
| Molecular Formula | C16H18N2O2S |
| Molecular Weight | 302.3913 |
| SMILES | c1c(ccc(c1)/C(=N/NS(=O)(=O)c1ccc(cc1)C)/C)C |
| Synonyms | (E)-4-Methyl-N'-(2-(p-tolyl)ethylidene)benzenesulfonohydrazide,
60672-33-5,
AC1N5RYO,
MCULE-6707474294,
4-methyl-N-[1-(4-methylphenyl)ethylideneamino]benzenesulfonamide,
ZINC05539462,
CID4201057,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.392g/mol |
| Monoisotopic Mass | 302.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number