4-(4-Fluorophenyl)-1,3-thiazole-2-thiol (42365-73-1)

The 4-(4-Fluorophenyl)-1,3-thiazole-2-thiol, with the CAS registry number 42365-73-1, is also known as 2-Thiazolethiol, 4-(4-fluorophenyl)-. This chemical's molecular formula is C₉H₆FNS₂ and formula weight is 211.28. What's more, its systematic name is called 4-(4-fluorophenyl)-1,3-thiazole-2-thiol.

Physical properties of 4-(4-Fluorophenyl)-1,3-thiazole-2-thiol: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.72; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 58.87; (8)ACD/KOC (pH 7.4): 19.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 57.17 cm³; (14)Molar Volume: 145.6 cm³; (15)Surface Tension: 64.5 dyne/cm; (16)Density: 1.45 g/cm³; (17)Flash Point: 151.9 °C; (18)Enthalpy of Vaporization: 56.99 kJ/mol; (19)Boiling Point: 327.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000201 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2S\C=C(\c1ccc(F)cc1)N2
(2)InChI: InChI=1/C9H6FNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
(3)InChIKey: MWMWTZPSWBGHNI-UHFFFAOYAT