1-BENZHYDRYL-2-THIOUREA

The Thiourea,N-(diphenylmethyl)-, with the CAS registry number 92192-94-4, has the systematic name of 1-(diphenylmethyl)thiourea. It is also called benzhydrylthiourea. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₄N₂S.

The characteristics of Thiourea,N-(diphenylmethyl)- are as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.46; (6)ACD/BCF (pH 7.4): 78.46; (7)ACD/KOC (pH 5.5): 790.29; (8)ACD/KOC (pH 7.4): 790.3; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 74.62 cm³; (15)Molar Volume: 203.5 cm³; (16)Polarizability: 29.58×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 198.6 °C; (20)Enthalpy of Vaporization: 65.63 kJ/mol; (21)Boiling Point: 404.8 °C at 760 mmHg; (22)Vapour Pressure: 9.17E-07 mmHg at 25°C.

Preparation of Thiourea,N-(diphenylmethyl)-: This chemical can be prepared by isothiocyanato-diphenyl-methane. The reaction will need reagent NH₃, and the menstruum methanol. The reaction time is 12 hours. 

Uses of Thiourea,N-(diphenylmethyl)-: It can react with iodomethane to produce C₁₅H₁₆N₂S^.HI. This reaction will need reagent methanol. The reaction time is 18 hours with ambient temperature, and the yield is about 76%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(NC(c1ccccc1)c2ccccc2)N
(2)InChI: InChI=1/C14H14N2S/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)
(3)InChIKey: ORTDRGIAWHXESM-UHFFFAOYAP