1-BENZOTHIOPHENE-2-SULFONYL CHLORIDE

The Benzo[b]thiophene-2-sulfonylchloride, with CAS registry number 90001-64-2, belongs to the following product categories: (1)Sulfonyl halide; (2)Sulphonyl Chlorides; (3)Thiophenes & Benzothiophenes. It has the systematic name of 1-benzothiophene-2-sulfonyl chloride. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₈H₅ClO₂S₂.

Physical properties of Benzo[b]thiophene-2-sulfonylchloride: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 837.92; (6)ACD/BCF (pH 7.4): 837.92; (7)ACD/KOC (pH 5.5): 4305.56; (8)ACD/KOC (pH 7.4): 4305.56; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.76 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 56.09 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 22.23×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.554 g/cm³; (19)Flash Point: 177.1 °C; (20)Enthalpy of Vaporization: 59.17 kJ/mol; (21)Boiling Point: 369.2 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzo[b]thiophene-2-sulfonylchloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2sc1ccccc1c2
(2)InChI: InChI=1/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
(3)InChIKey: FKIIVBOPAHICHQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
(5)Std. InChIKey: FKIIVBOPAHICHQ-UHFFFAOYSA-N