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61714-76-9

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Basic Information
CAS No.: 61714-76-9
Name: 3-methyl-2-Thiophenesulfonyl chloride
Article Data: 3
Molecular Structure:
Molecular Structure of 61714-76-9 (3-methyl-2-Thiophenesulfonyl chloride)
Formula: C5H5ClO2S2
Molecular Weight: 196.678
Synonyms: 3-Methylthiophene-2-sulfonylchloride;3-methylthiophene-2-sulfonyl chloride;
Density: 1.492 g/cm3
Boiling Point: 280.999 °C at 760 mmHg
Flash Point: 123.744 °C
PSA: 70.76000
LogP: 3.06480
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Specification

The 2-Thiophenesulfonylchloride, 3-methyl-, with the CAS registry number 61714-76-9, has the systematic name of 3-methylthiophene-2-sulfonyl chloride. It belongs to the product category of Thiophens. And the molecular formula of this chemical is C5H5ClO2S2.

The physical properties of 2-Thiophenesulfonylchloride, 3-methyl- are as following: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 70.76 Å2; (7)Index of Refraction: 1.569; (8)Molar Refractivity: 43.165 cm3; (9)Molar Volume: 131.844 cm3; (10)Polarizability: 17.112×10-24cm3; (11)Surface Tension: 47.067 dyne/cm; (12)Density: 1.492 g/cm3; (13)Flash Point: 123.744 °C; (14)Enthalpy of Vaporization: 49.889 kJ/mol; (15)Boiling Point: 280.999 °C at 760 mmHg; (16)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Cl)c1sccc1C
(2)InChI: InChI=1/C5H5ClO2S2/c1-4-2-3-9-5(4)10(6,7)8/h2-3H,1H3
(3)InChIKey: RXFIISJOFYQYKK-UHFFFAOYAO