2-[(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS NO.64679-65-8

Specification The Acetic acid,2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-, with the CAS registry number 64679-65-8, is also known as [(5-Methyl-1H-1,…

Specification The Acetic acid,2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-, with the CAS registry number 64679-65-8, is also known as [(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. This chemical's molecular formula is C5H7N3O2S and molecular weight is 173.19. What's more, its IUPAC name is called 2-[(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. Physical properties about Acetic acid,2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]- are: (1)ACD/LogP: 0.804; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 104.17 ?2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 39.821 cm3; (15)Molar Volume: 113.056 cm3; (16)Polarizability: 15.786×10-24cm3; (17)Surface Tension: 90.866 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 233.717 °C; (20)Enthalpy of Vaporization: 76.279 kJ/mol; (21)Boiling Point: 462.84 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.