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179400-18-1

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Basic Information
CAS No.: 179400-18-1
Name: 5-Isopropylpyridine-2-sulfonamide
Molecular Structure:
Molecular Structure of 179400-18-1 (5-Isopropylpyridine-2-sulfonamide)
Formula: C8H12N2O2S
Molecular Weight: 200.26
Synonyms: 5-Isopropyl-2-pyridinesulfonamide;
Density: 1.238 g/cm3
Boiling Point: 366.4 °C at 760 mmHg
Flash Point: 175.4 °C
PSA: 81.43000
LogP: 2.63350
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Specification

This chemical is called 2-Pyridinesulfonamide, 5-(1-methylethyl)-, and its systematic name is 5-(propan-2-yl)pyridine-2-sulfonamide. With the molecular formula ofC8H12N2O2S, its molecular weight is 200.26. The CAS registry number of this chemical is 179400-18-1. Additionally, its product category is Sulfonamide.

Other characteristics of the 2-Pyridinesulfonamide, 5-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.57; (8)ACD/KOC (pH 7.4): 29.37; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 81.43 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 50.85 cm3; (15)Molar Volume: 161.6 cm3; (16)Polarizability: 20.15×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 175.4 °C; (20)Enthalpy of Vaporization: 61.28 kJ/mol; (21)Boiling Point: 366.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(N)(=O)c1ccc(cn1)C(C)C
2.InChI: InChI=1/C8H12N2O2S/c1-6(2)7-3-4-8(10-5-7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
3.InChIKey: YMGPPCIQOPLDKE-UHFFFAOYAA