The 1,2,4-Triazolo[4,3-a]pyridine-3(2H)-thione, with the CAS registry number 6952-68-7, has the systematic name of [1,2,4]triazolo[4,3-a]pyridine-3(2H)-thione. It is also called 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione. And the molecular formula of the chemical is C₆H₅N₃S.

The characteristics of 1,2,4-Triazolo[4,3-a]pyridine-3(2H)-thione are as followings: (1)ACD/LogP: -0.56; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 50.93 Å²; (11)Index of Refraction: 1.784; (12)Molar Refractivity: 42.48 cm³; (13)Molar Volume: 100.8 cm³; (14)Polarizability: 16.84×10^-24cm³; (15)Surface Tension: 58.5 dyne/cm; (16)Density: 1.49 g/cm³; (17)Flash Point: 96 °C; (18)Enthalpy of Vaporization: 47.18 kJ/mol; (19)Boiling Point: 235.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0511 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C1N2/C=C\C=C/C2=N/N1
(2)InChI: InChI=1/C6H5N3S/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
(3)InChIKey: ZQMDNIPQCWNIMG-UHFFFAOYAC