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20228-87-9

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Basic Information
CAS No.: 20228-87-9
Name: Benzenesulfonamide, N-(cyanomethyl)-4-methyl-
Article Data: 6
Molecular Structure:
Molecular Structure of 20228-87-9 (Benzenesulfonamide, N-(cyanomethyl)-4-methyl-)
Formula: C9H10N2O2S
Molecular Weight: 210.257
Synonyms: 2-{[(4-Methylphenyl)sulfonyl]amino}ethanenitrile;
Density: 1.265 g/cm3
Boiling Point: 383.8 °C at 760 mmHg
Flash Point: 185.9 °C
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Specification

The CAS registry number of Benzenesulfonamide, N-(cyanomethyl)-4-methyl- is 20228-87-9. This chemical is also named as 2-{[(4-Methylphenyl)sulfonyl]amino}ethanenitrile. In addition, its molecular formula is C9H10N2O2S and molecular weight is 210.256. Its systematic name is called N-(cyanomethyl)-4-methylbenzenesulfonamide.

Physical properties about Benzenesulfonamide, N-(cyanomethyl)-4-methyl- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 2.82; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 72.72; (8)ACD/KOC (pH 7.4): 27.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 53.04 cm3; (14)Molar Volume: 166.1 cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.265 g/cm3; (17)Flash Point: 185.9 °C; (18)Enthalpy of Vaporization: 63.24 kJ/mol; (19)Boiling Point: 383.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NCC#N
(2)InChI: InChI=1/C9H10N2O2S/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10/h2-5,11H,7H2,1H3
(3)InChIKey: KOOBRRKKRKKSMZ-UHFFFAOYAY