4-Benzyl-1,3-thiazolidine-2-thione (13897-15-9)

The 4-Benzyl-1,3-thiazolidine-2-thione, with CAS registry number 13897-15-9, has the systematic name of 4-benzyl-4,5-dihydro-1,3-thiazole-2-thiol. Besides this, it is also called 2-thiazolidinethione, 4-(phenylmethyl)-. And the chemical formula of this chemical is C₁₀H₁₁NS₂.

Physical properties of 4-Benzyl-1,3-thiazolidine-2-thione: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.48; (6)ACD/BCF (pH 7.4): 8.76; (7)ACD/KOC (pH 5.5): 155.06; (8)ACD/KOC (pH 7.4): 100.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.46 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 61.72 cm³; (15)Molar Volume: 164.3 cm³; (16)Polarizability: 24.46×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Enthalpy of Vaporization: 54.92 kJ/mol; (19)Vapour Pressure: 0.000341 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S/C2=N/C(Cc1ccccc1)CS2
(2)InChI: InChI=1/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
(3)InChIKey: SLDUGQISGRPGAW-UHFFFAOYAL