| CAS Number | 100515-25-1 |
| Catalog Number | AG00ITNP(AGN-PC-0WB2FW) |
| Chemical Name | 4-Methyl-N'-(4-(methylsulfonyl)benzylidene)benzenesulfonohydrazide; 4-Methanesulfonylbenzaldehyde tosylhydrazone |
| IUPAC Name | 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]benzenesulfonamide |
| InChI | InChI=1S/C15H16N2O4S2/c1-12-3-7-15(8-4-12)23(20,21)17-16-11-13-5-9-14(10-6-13)22(2,18)19/h3-11,17H,1-2H3 |
| InChI Key | DMMBNYWUQYVVIG-UHFFFAOYSA-N |
| MDL Number | MFCD28962692 |
| Molecular Formula | C15H16N2O4S2 |
| Molecular Weight | 352.4285 |
| SMILES | S(=O)(=O)(NN=CC1(=CC=C(S(=O)(=O)C)C=C1))C2(=CC=C(C)C=C2) |
| Synonyms | 100515-25-1,
4-Methyl-N'-(4-(methylsulfonyl)benzylidene)benzenesulfonohydrazide; 4-Methanesulfonylbenzaldehyde tosylhydrazone,
N'-[(1E)-(4-methanesulfonylphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide,
KS-000029SS,
AKOS030253645,
|
| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.423g/mol |
| Monoisotopic Mass | 352.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number