Chlorosulfuric acid,S,S'-methylene ester (92975-18-3)

The Chlorosulfuric acid S,S'-methylene ester, with CAS registry number 92975-18-3, belongs to the following product category: API. It has the systematic name of methanediyl dichlorosulfate. Besides this, it is also called Methylene bis-(chlorosulfate) (MBCS). And the chemical formula of this chemical is CH₂Cl₂O₆S₂.

Physical properties of Chlorosulfuric acid S,S'-methylene ester: (1)ACD/LogP: -0.20; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 121; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 103.5 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 37.458 cm³; (15)Molar Volume: 122.601 cm³; (16)Polarizability: 14.85×10^-24cm³; (17)Surface Tension: 69.926 dyne/cm; (18)Enthalpy of Vaporization: 52.335 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)OCOS(=O)(Cl)=O
(2)InChI: InChI=1/CH2Cl2O6S2/c2-10(4,5)8-1-9-11(3,6)7/h1H2
(3)InChIKey: GGRDHZBJMKCESK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/CH2Cl2O6S2/c2-10(4,5)8-1-9-11(3,6)7/h1H2
(5)Std. InChIKey: GGRDHZBJMKCESK-UHFFFAOYSA-N