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97272-04-3

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Basic Information
CAS No.: 97272-04-3
Name: 2,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 97272-04-3 (2,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE)
Formula: C6H7ClO2S2
Molecular Weight: 210.705
Synonyms: 2,5-Dimethylthiophene-3-sulfonylchloride;2,5-Dimethylthiophene-3-sulphonyl chloride;
Density: 1.422 g/cm3
Melting Point: 120-122 °C
Boiling Point: 298.6 °C at 760 mmHg
Flash Point: 134.4 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
Safety: 26
PSA: 70.76000
LogP: 3.37320
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Specification

The 2,5-Dimethylthiophene-3-sulphonyl chloride is an organic compound with the formula C6H7ClO2S2. The systematic name of this chemical is 2,5-dimethylthiophene-3-sulfonyl chloride. With the CAS registry number 97272-04-3, the product's categories are Sulfonylhalide; Sulphonyl Chlorides; Thiophenes & Benzothiophenes.

Physical properties about 2,5-Dimethylthiophene-3-sulphonyl chloride are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 54.31; (5)ACD/BCF (pH 7.4): 54.31; (6)ACD/KOC (pH 5.5): 607.38; (7)ACD/KOC (pH 7.4): 607.38; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 70.76 Å2; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 47.78 cm3; (13)Molar Volume: 148.1 cm3; (14)Polarizability: 18.94×10-24cm3; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.422 g/cm3; (17)Flash Point: 134.4 °C; (18)Enthalpy of Vaporization: 51.7 kJ/mol; (19)Boiling Point: 298.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00222 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(sc1C)C
(2)InChI: InChI=1/C6H7ClO2S2/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
(3)InChIKey: CMTPCYKEUFDVAU-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H7ClO2S2/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
(5)Std. InChIKey: CMTPCYKEUFDVAU-UHFFFAOYSA-N