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1-Benzothiophene-3-sulfonyl chloride

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Name

1-Benzothiophene-3-sulfonyl chloride

EINECS N/A
CAS No. 18494-87-6 Density 1.554 g/cm3
PSA 70.76000 LogP 3.90960
Solubility Sparingly soluble in water (0.091 g/L at 25°C). Melting Point 86 °C
Formula C8H5ClO2S2 Boiling Point 369.2 °C at 760 mmHg
Molecular Weight 232.711 Flash Point 177.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 18494-87-6 (1-Benzothiophene-3-sulfonyl chloride) Hazard Symbols IrritantXi
Synonyms

1-Benzothiophene-3-sulfonylchloride;

Article Data 9

1-Benzothiophene-3-sulfonyl chloride Specification

This chemical is called 1-Benzothiophene-3-sulfonyl chloride, and its CAS registry number is 18494-87-6. With the molecular formula of C8H5ClO2S2, its molecular weight is 232.71. Additionally, its product categories are Sulphonyl Chlorides; Thiophenes & Benzothiophenes; Sulphonyl Chlorides.

Other characteristics of the 1-Benzothiophene-3-sulfonyl chloride can be summarised as followings: (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: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: ClS(=O)(=O)c1c2ccccc2sc1
2.InChI: InChI=1/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
3.InChIKey: WYYRQMZTUXFUTC-UHFFFAOYAR

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