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13909-69-8

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Basic Information
CAS No.: 13909-69-8
Name: 4-methyl-N-(methylcarbamoyl)benzenesulfonamide
Article Data: 2
Molecular Structure:
Molecular Structure of 13909-69-8 (4-methyl-N-(methylcarbamoyl)benzenesulfonamide)
Formula: C9H12N2O3S
Molecular Weight: 228.272
Synonyms: 4-Methyl-N-(methylcarbamoyl)benzenesulfonamide;N-Methyl-N'-(toluene-4-sulfonyl)-urea;
Density: 1.277 g/cm3
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Specification

The 3-Methyl-1-(4-methylphenyl)sulfonyl-urea, with the CAS registry number 13909-69-8, is also known as N-Methyl-N'-(toluene-4-sulfonyl)-urea. This chemical's molecular formula is C9H12N2O3S and molecular weight is 228.27. What's more, its systematic name is (3-methoxy-4-pyridyl)boronic acid. 

Physical properties of 3-Methyl-1-(4-methylphenyl)sulfonyl-urea are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.07 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 56.87 cm3; (13)Molar Volume: 178.7 cm3; (14)Polarizability: 22.54×10-24cm3; (15)Surface Tension: 45.1 dyne/cm; (16)Density: 1.277 g/cm3.

Preparation of 3-Methyl-1-(4-methylphenyl)sulfonyl-urea: this chemical can be prepared by 1,3-dimethyl-urea and toluene-4-sulfonamide; sodium salt at the temperature of 160 °C. This reaction time is 3 hours. The yield is about 99.5%.

3-Methyl-1-(4-methylphenyl)sulfonyl-urea can be prepared by 1,3-dimethyl-urea and toluene-4-sulfonamide; sodium salt at the temperature of 160 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(=O)NC
(2)InChI: InChI=1S/C9H12N2O3S/c1-7-3-5-8(6-4-7)15(13,14)11-9(12)10-2/h3-6H,1-2H3,(H2,10,11,12)
(3)InChIKey: SBOYIDYZPREUQJ-UHFFFAOYSA-N