Acetic acid,2-(1H-benzimidazol-2-ylthio)- CAS NO.3042-00-0

The Acetic acid,2-(1H-benzimidazol-2-ylthio)-, with the CAS registry number 3042-00-0, is also known as (2-Benzimidazolylthio)acetic acid. It belongs to the product category of Imidazol & Benzimidazole. This chemical's molecular formula is C₉H₈N₂O₂S and molecular weight is 208.24. What's more, its IUPAC name is 2-(1H-Benzimidazol-2-ylsulfanyl)acetic acid. Additionally, it should be preserved hermetically and put in a cool, dry place. It's off white solid.

Physical properties about Acetic acid,2-(1H-benzimidazol-2-ylthio)-: (1)ACD/LogP: 2.12; (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): 2.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 69.42 Å²; (11)Index of Refraction: 1.726; (12)Molar Refractivity: 54.95 cm³; (13)Molar Volume: 138.2 cm³; (14)Surface Tension: 85.3 dyne/cm; (15)Density: 1.5 g/cm³; (16)Flash Point: 241.3 °C; (17)Enthalpy of Vaporization: 77.83 kJ/mol; (18)Boiling Point: 475.3 °C at 760 mmHg; (19)Vapour Pressure: 7.69E-10 mmHg at 25 °C; (20)Melting point: 214-215°C.

Preparation of Acetic acid,2-(1H-benzimidazol-2-ylthio)-: it can be obtained by Bromoacetic acid and 1,3-Dihydro-benzoimidazole-2-thione. The reaction occurs with reagent Sodium acetate and solvent Ethanol heating for 7 hours. The yield is 79 %.

Uses of Acetic acid,2-(1H-benzimidazol-2-ylthio)-: it is used to produce other chemicals. For example, it can react with N.N'-Dimesitylcarbodiimid to get 2-(1H-Benzoimidazol-2-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide and 2-Isocyanato-1,3,5-trimethyl-benzene. The reaction occurs with reagent Benzene. The 

The Acetic acid,2-(1H-benzimidazol-2-ylthio)-, with the CAS registry number 3042-00-0, is also known as (2-Benzimidazolylthio)acetic acid. It belongs to the product category of Imidazol & Benzimidazole. This chemical's molecular formula is C₉H₈N₂O₂S and molecular weight is 208.24. What's more, its IUPAC name is 2-(1H-Benzimidazol-2-ylsulfanyl)acetic acid. Additionally, it should be preserved hermetically and put in a cool, dry place. It's off white solid.

Physical properties about Acetic acid,2-(1H-benzimidazol-2-ylthio)-: (1)ACD/LogP: 2.12; (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): 2.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 69.42 Å²; (11)Index of Refraction: 1.726; (12)Molar Refractivity: 54.95 cm³; (13)Molar Volume: 138.2 cm³; (14)Surface Tension: 85.3 dyne/cm; (15)Density: 1.5 g/cm³; (16)Flash Point: 241.3 °C; (17)Enthalpy of Vaporization: 77.83 kJ/mol; (18)Boiling Point: 475.3 °C at 760 mmHg; (19)Vapour Pressure: 7.69E-10 mmHg at 25 °C; (20)Melting point: 214-215°C.

Preparation of Acetic acid,2-(1H-benzimidazol-2-ylthio)-: it can be obtained by Bromoacetic acid and 1,3-Dihydro-benzoimidazole-2-thione. The reaction occurs with reagent Sodium acetate and solvent Ethanol heating for 7 hours. The yield is 79 %.

Uses of Acetic acid,2-(1H-benzimidazol-2-ylthio)-: it is used to produce other chemicals. For example, it can react with N.N'-Dimesitylcarbodiimid to get 2-(1H-Benzoimidazol-2-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide and 2-Isocyanato-1,3,5-trimethyl-benzene. The reaction occurs with reagent Benzene. The