| CAS Number | 676147-57-2 |
| Catalog Number | AG01DTND |
| Chemical Name | N'-[(E)-(3,5-dimethoxyphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide |
| IUPAC Name | N-[(3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C16H18N2O4S/c1-12-4-6-16(7-5-12)23(19,20)18-17-11-13-8-14(21-2)10-15(9-13)22-3/h4-11,18H,1-3H3 |
| InChI Key | GCBBMYIHQHIDEB-UHFFFAOYSA-N |
| MDL Number | MFCD05044774 |
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.3901 |
| SMILES | COc1cc(OC)cc(C=NNS(=O)(=O)c2ccc(C)cc2)c1 |
| Synonyms | N'-(3,5-Dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide,
676147-57-2,
|
| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.39g/mol |
| Monoisotopic Mass | 334.099g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 85.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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