1,2-DIHYDRO-5-(3-PYRIDINYL)-3H-1,2,4-TRIAZOLE-3-THIONE

The 3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-(3-pyridinyl)-, with the CAS registry number 32362-88-2, is also known as 3-(Pyridin-3-yl)-1H-1,2,4-triazole-5-thiol. This chemical's molecular formula is C₇H₆N₄S and molecular weight is 178.21. Its systematic name is called 5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol.

Physical properties of 3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-(3-pyridinyl)-: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.795; (11)Molar Refractivity: 49.24 cm³; (12)Molar Volume: 115.6 cm³; (13)Surface Tension: 60.6 dyne/cm; (14)Density: 1.54 g/cm³; (15)Flash Point: 133.1 °C; (16)Enthalpy of Vaporization: 53.63 kJ/mol; (17)Boiling Point: 296.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00143 mmHg at 25°C.

Preparation of 3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-(3-pyridinyl)-: this chemical can be prepared by 1-nicotinoyl-thiosemicarbazide. This reaction will need reagent aq. NaOH. The reaction time is 3 min. The yield is about 74%.

Uses of 3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-(3-pyridinyl)-: it can be used to produce N-(2,6-dichloro-phenyl)-2-(5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide by heating. This reaction will need reagent KOH and solvent methanol with reaction time of 3 hours. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. t is irritating to respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2/N=C(/c1cnccc1)NN2
(2)InChI: InChI=1/C7H6N4S/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H2,9,10,11,12)
(3)InChIKey: GAYWCADKXYCKCG-UHFFFAOYAR