Thiourea,N-(3-acetylphenyl)- (86801-04-9)

The 1-(3-Acetylphenyl)-2-thiourea, with the CAS registry number 86801-04-9, is also known as Thiourea, N-(3-acetylphenyl)-. This chemical's molecular formula is C₉H₁₀N₂OS and molecular weight is 194.25. Its systematic name is called 1-(3-acetylphenyl)thiourea.

Physical properties about 1-(3-Acetylphenyl)-2-thiourea are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 46.08; (8)ACD/KOC (pH 7.4): 46.08; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 56.71 cm³; (14)Molar Volume: 149 cm³; (15)Surface Tension: 67.2 dyne/cm; (16)Density: 1.302 g/cm³; (17)Melting Point: 165-167 °C; (18)Flash Point: 164.1 °C; (19)Enthalpy of Vaporization: 59.21 kJ/mol; (20)Boiling Point: 347.8 °C at 760 mmHg; (21)Vapour Pressure: 5.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cc(ccc1)C(=O)C)N
(2)InChI: InChI=1/C9H10N2OS/c1-6(12)7-3-2-4-8(5-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
(3)InChIKey: NTHCFGIAOBBZFD-UHFFFAOYAO