4-PHENYL-1,2,3-THIADIAZOLE

The 1,2,3-Thiadiazole,4-phenyl-, with the CAS registry number 25445-77-6, is also known as 4-Phenyl-1,2,3-thiadiazole. This chemical's molecular formula is C₈H₆N₂S and molecular weight is 162.21. What's more, its IUPAC name is 4-Phenylthiadiazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.55; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.02 Å²; (7)Index of Refraction: 1.611; (8)Molar Refractivity: 45.41 cm³; (9)Molar Volume: 130.6 cm³; (10)Polarizability: 18×10^-24cm³; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.241 g/cm³; (13)Flash Point: 129.8 °C; (14)Enthalpy of Vaporization: 50.74 kJ/mol; (15)Boiling Point: 289.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00385 mmHg at 25 °C.

Preparation of 1,2,3-Thiadiazole,4-phenyl: this chemical can be prepared by (1-Phenyl-ethylidene)-hydrazinecarboxylic acid ethyl ester. This reaction needs reagent SOCl₂.

Uses of 1,2,3-Thiadiazole,4-phenyl: it is used to produce Lithium 2-phenylethynethiolate. The reaction occurs with reagent Butyllithium and solvents Tetrahydrofuran and Diethyl ether. This reaction will occur for 30 min. The yield is 70 %.

When you are dealing with this chemical, you should be very careful. It is harmful if it is swallowed. It is toxic in contact with skin and it is toxic if it is swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nscc1c2ccccc2
(2) InChI: InChI=1/C8H6N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H
(3) InChIKey: AWPNFXRMNNPKDW-UHFFFAOYAE