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19816-88-7 molecular structure
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N'-(1,3-diphenylpropan-2-ylidene)-4-methylbenzene-1-sulfonohydrazide

ChemBase ID: 158722
Molecular Formular: C22H22N2O2S
Molecular Mass: 378.48728
Monoisotopic Mass: 378.14019895
SMILES and InChIs

SMILES:
Cc1ccc(cc1)S(=O)(=O)N/N=C(\Cc1ccccc1)/Cc1ccccc1
Canonical SMILES:
Cc1ccc(cc1)S(=O)(=O)N/N=C(\Cc1ccccc1)/Cc1ccccc1
InChI:
InChI=1S/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3
InChIKey:
GDXUEUWCUUAZFM-UHFFFAOYSA-N

Cite this record

CBID:158722 http://www.chembase.cn/molecule-158722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-(1,3-diphenylpropan-2-ylidene)-4-methylbenzene-1-sulfonohydrazide
IUPAC Traditional name
N'-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonohydrazide
Synonyms
1,3-Diphenyl-2-propanone p-tosylhydrazone
1,3-Diphenyl-2-propanone tosylhydrazone
1,3-Diphenylacetone p-tosylhydrazone
Dibenzyl ketone tosyl hydrazone
1,3-Diphenyl-2-propanone p-toluenesulfonylhydrazone
1,3-Diphenylacetone p-toluenesulfonylhydrazone
1,3-联苯基丙酮间甲苯磺酰腙
CAS Number
19816-88-7
EC Number
243-344-9
MDL Number
MFCD00009645
Beilstein Number
2225293
PubChem SID
24853794
162252858
PubChem CID
88263

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 88263 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.825542  H Acceptors
H Donor LogD (pH = 5.5) 5.3213015 
LogD (pH = 7.4) 5.332526  Log P 5.321158 
Molar Refractivity 109.3528 cm3 Polarizability 42.81171 Å3
Polar Surface Area 58.53 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
187-188 °C(lit.) expand Show data source
ca 185°C dec. expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Linear Formula
CH3C6H4SO2NHN=C(CH2C6H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 230308 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Improved reagent for the direct titration of alkyllithium reagents: J. Organomet. Chem., 186, 155 (1980).
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PATENTS

PATENTS

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INTERNET

INTERNET

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