3-AMINO-5-PHENYLAMINO-1,2,4-THIADIAZOLE

This chemical is called 1,2,4-Thiadiazole-3,5-diamine,N⁵-phenyl-, and its systematic name is N⁵-phenyl-1,2,4-thiadiazole-3,5-diamine. With the molecular formula of C₈H₈N₄S, its molecular weight is 192.24. The CAS registry number of this chemical is 60093-15-4.

Other characteristics of the 1,2,4-Thiadiazole-3,5-diamine,N⁵-phenyl- can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.82; (6)ACD/BCF (pH 7.4): 6.98; (7)ACD/KOC (pH 5.5): 136.6; (8)ACD/KOC (pH 7.4): 139.83; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.5 Å²; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 54.43 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 21.57×10^-24cm³; (17)Surface Tension: 78.4 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 181 °C; (20)Enthalpy of Vaporization: 62.32 kJ/mol; (21)Boiling Point: 375.7 °C at 760 mmHg; (22)Vapour Pressure: 7.64E-06 mmHg at 25°C.

Production method of this chemical: The 1,2,4-Thiadiazole-3,5-diamine,N⁵-phenyl- could be obtained by the reactant of N-carbamimidoyl-N'-phenyl-thiourea. This reaction needs the reagent of aqueous H₂O₂, ethanolic and HCl.

Uses of this chemical: The 1,2,4-Thiadiazole-3,5-diamine,N⁵-phenyl- could react with benzoyl isothiocyanate to obtain the 1-benzoyl-3-(5-phenylamino-[1,2,4]thiadiazol-3-yl)-thiourea. This reaction needs the solvents of ethanol and acetone. The yield is 32 %. In addition, this reaction should be taken for 1 hour. The other condition is heating.

You can still convert the following datas into molecular structure: 
1.SMILES: n1c(snc1N)Nc2ccccc2
2.InChI: InChI=1/C8H8N4S/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
3.InChIKey: VQILAUHHKYCEOS-UHFFFAOYAT