| CAS Number | 453523-36-9 |
| Catalog Number | AG01EW1P(AGN-PC-0JVIHE) |
| Chemical Name | 3-Acetylpyridine p-toluensulfonylhydrazone |
| IUPAC Name | 4-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide |
| InChI | InChI=1S/C14H15N3O2S/c1-11-5-7-14(8-6-11)20(18,19)17-16-12(2)13-4-3-9-15-10-13/h3-10,17H,1-2H3/b16-12+ |
| InChI Key | BMHGFIKYJPCLKO-FOWTUZBSSA-N |
| MDL Number | MFCD01230698 |
| Molecular Formula | C14H15N3O2S |
| Molecular Weight | 289.3528 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C=1C=NC=CC1 |
| Synonyms | 3-Acetylpyridine p-toluensulfonylhydrazone,
453523-36-9,
AC1NUAO5,
STK446558,
AKOS000979896,
ST027369,
4-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide,
((1E)-2-(3-pyridyl)-1-azaprop-1-enyl)[(4-methylphenyl)sulfonyl]amine,
4-methyl-N'-[(1E)-1-(pyridin-3-yl)ethylidene]benzenesulfonohydrazide,
ZINC00133526,
CID5397920,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 289.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.353g/mol |
| Monoisotopic Mass | 289.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number