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CAS No.: | 92192-94-4 |
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Name: | 1-BENZHYDRYL-2-THIOUREA |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C14H14N2S |
Molecular Weight: | 242.34 |
Synonyms: | Pseudourea,1-(diphenylmethyl)-2-thio- (7CI);Thiourea, (diphenylmethyl)- (9CI);Urea,1-diphenylmethyl-2-thio- (6CI);NSC 118958;1-(diphenylmethyl)thiourea;benzhydrylthiourea; |
Density: | 1.19 g/cm3 |
Melting Point: | 184°C |
Boiling Point: | 404.8 °C at 760 mmHg |
Flash Point: | 198.6 °C |
Hazard Symbols: | Xi |
PSA: | 70.14000 |
LogP: | 3.70040 |
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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