| CAS Number | 65609-73-6 |
| Catalog Number | AG01DFEC(AGN-PC-0THB4M) |
| Chemical Name | N'-[(E)-(4-tert-butylphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide |
| IUPAC Name | N-[(4-tert-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C18H22N2O2S/c1-14-5-11-17(12-6-14)23(21,22)20-19-13-15-7-9-16(10-8-15)18(2,3)4/h5-13,20H,1-4H3 |
| InChI Key | JMWIJWFSKKSJQT-UHFFFAOYSA-N |
| MDL Number | MFCD03362137 |
| Molecular Formula | C18H22N2O2S |
| Molecular Weight | 330.4445 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccc(cc1)C(C)(C)C |
| Synonyms | N-(4-tert-Butylbenzylidene)-4-methylbenzenesulfonohydrazide,
65609-73-6,
AC1NDIXE,
MCULE-9071234805,
N-[(4-tert-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide,
CID4576636,
4-methyl-N-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide,
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| Complexity | 486 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.446g/mol |
| Monoisotopic Mass | 330.14g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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