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17336-66-2 molecular structure
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4-methyl-N'-(1-phenylpropylidene)benzene-1-sulfonohydrazide

ChemBase ID: 151940
Molecular Formular: C16H18N2O2S
Molecular Mass: 302.39132
Monoisotopic Mass: 302.10889883
SMILES and InChIs

SMILES:
CC/C(=N\NS(=O)(=O)c1ccc(cc1)C)/c1ccccc1
Canonical SMILES:
CC/C(=N\NS(=O)(=O)c1ccc(cc1)C)/c1ccccc1
InChI:
InChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3
InChIKey:
TWTWWQDWKPRWFI-UHFFFAOYSA-N

Cite this record

CBID:151940 http://www.chembase.cn/molecule-151940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-N'-(1-phenylpropylidene)benzene-1-sulfonohydrazide
IUPAC Traditional name
4-methyl-N'-(1-phenylpropylidene)benzenesulfonohydrazide
Synonyms
1-Propiophenone-p-toluenesulfonylhydrazone
1-Propiophenone tosylhydrazone
Propionophenone tosylhydrazone
p-Toluenesulfonic acid (1-phenylpropylidene)hydrazide
Propionophenone p-toluenesulfonylhydrazone
1-苯丙酮-对甲苯磺酰腙
1-丙基酰苯甲苯磺酰腙
苯丙酮对甲苯磺酰腙
CAS Number
17336-66-2
MDL Number
MFCD00159336
PubChem SID
24880326
162246086
PubChem CID
6374388

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6374388 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.821279  H Acceptors
H Donor LogD (pH = 5.5) 3.7777724 
LogD (pH = 7.4) 3.7891061  Log P 3.7776277 
Molar Refractivity 84.8019 cm3 Polarizability 33.19374 Å3
Polar Surface Area 58.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
118-120 °C(lit.) expand Show data source
118-120°C 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
97% expand Show data source
Linear Formula
CH3C6H4SO2NHN=C(C6H5)CH2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 566810 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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