5-Chlorothiazole (4175-73-9)

The 5-Chlorothiazole, with CAS registry number 4175-73-9, has the systematic name of 5-chloro-1,3-thiazole. And the chemical formula of this chemical is C₃H₂ClNS. Its molecular weight is 119.57.

Physical properties of 5-Chlorothiazole: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 27.623 cm³; (15)Molar Volume: 84.087 cm³; (16)Polarizability: 10.951×10^-24cm³; (17)Surface Tension: 47.242 dyne/cm; (18)Enthalpy of Vaporization: 38.802 kJ/mol; (19)Vapour Pressure: 2.164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cncs1
(2)InChI: InChI=1/C3H2ClNS/c4-3-1-5-2-6-3/h1-2H
(3)InChIKey: YBGBTGGBNZEUJS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C3H2ClNS/c4-3-1-5-2-6-3/h1-2H
(5)Std. InChIKey: YBGBTGGBNZEUJS-UHFFFAOYSA-N