1,4-DIPHENYL-3-THIOSEMICARBAZIDE

This chemical is called Hydrazinecarbothioamide, N,2-diphenyl-, and its IUPAC name is 1-anilino-3-phenylthiourea. With the molecular formula of C₁₃H₁₃N₃S, its molecular weight is 243.33. The CAS registry number of this chemical is 1768-59-8.

Other characteristics of the Hydrazinecarbothioamide, N,2-diphenyl- can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 13.81; (6)ACD/BCF (pH 7.4): 10.25; (7)ACD/KOC (pH 5.5): 72.92; (8)ACD/KOC (pH 7.4): 54.09; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 75.92 cm³; (15)Molar Volume: 186.5 cm³; (16)Polarizability: 30.09×10^-24cm³; (17)Surface Tension: 67.6 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 61.3 kJ/mol; (21)Boiling Point: 366.6 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-05 mmHg at 25°C.

Production method of this chemical: The Hydrazinecarbothioamide, N,2-diphenyl- could be obtained by the reactants of aniline and N'-phenyl-hydrazinecarbodithioic acid methyl ester. This reaction needs the reagent of triethylamine. The yield is 72 %. In addition, this reaction should be taken for 4 hours at the temperature of 100 °C.

Uses of this chemical: The Hydrazinecarbothioamide, N,2-diphenyl- could react with chloroacetic acid, and obtain the 3-anilino-2-phenylimino-thiazolidin-4-one. This reaction needs the reagent of sodium acetate, acetic acid. The yield is 55 %. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: S=C(NNc1ccccc1)Nc2ccccc2
2.InChI: InChI=1/C13H13N3S/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)
3.InChIKey: VGIVYSWGHVFQRP-UHFFFAOYAC