The 1H-Benzimidazole,5,6-dimethyl-2-(methylthio)-, with the CAS registry number 35190-53-5, is also known as 5,6-Dimethyl-2-methylthiobenzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C10H12N2S and molecular weight is 192.28. What's more, its systematic name is 5,6-dimethyl-2-(methylsulfanyl)-1H-benzimidazole.
Physical properties of 1H-Benzimidazole,5,6-dimethyl-2-(methylthio)- are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 41.72; (6)ACD/BCF (pH 7.4): 212.81; (7)ACD/KOC (pH 5.5): 311.58; (8)ACD/KOC (pH 7.4): 1589.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.12 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 57.91 cm3; (15)Molar Volume: 159 cm3; (16)Surface Tension: 55.6 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 183 °C; (19)Enthalpy of Vaporization: 62.69 kJ/mol; (20)Boiling Point: 378.9 °C at 760 mmHg; (21)Vapour Pressure: 6.07E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S(c2nc1cc(c(cc1n2)C)C)C
(2)InChI: InChI=1S/C10H12N2S/c1-6-4-8-9(5-7(6)2)12-10(11-8)13-3/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: MJLLMYGVZRECFX-UHFFFAOYSA-N
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