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1020743-47-8

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Basic Information
CAS No.: 1020743-47-8
Name: 2-BROMO-5-(ISOPROPYLSULFONYL)THIOPHENE
Molecular Structure:
Molecular Structure of 1020743-47-8 (2-BROMO-5-(ISOPROPYLSULFONYL)THIOPHENE)
Formula: C7H9BrO2S2
Molecular Weight: 269.18
Synonyms: 2-Bromo-5-(isopropylsulfonyl)thiophene;
Density: 1.581 g/cm3
Boiling Point: 376.36 °C at 760 mmHg
Flash Point: 181.416 °C
PSA: 70.76000
LogP: 3.77350
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Specification

The 2-Bromo-5-(isopropylsulfonyl)thiophene with its cas register number is 1020743-47-8. It also can be called as Thiophene,2-bromo-5-[(1-methylethyl)sulfonyl]- and the Systematic name about this chemical is 2-bromo-5-isopropylsulfonyl-thiophene.

Physical properties about 2-Bromo-5-(isopropylsulfonyl)thiophene are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.293; (3)ACD/LogD (pH 7.4): 2.293; (4)ACD/BCF (pH 5.5): 32.562; (5)ACD/BCF (pH 7.4): 32.562; (6)ACD/KOC (pH 5.5): 421.131; (7)ACD/KOC (pH 7.4): 421.131; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 70.76Å2; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 55.297 cm3; (13)Molar Volume: 170.265 cm3; (14)Polarizability: 21.922x10-24cm3; (15)Surface Tension: 43.535 dyne/cm; (16)Enthalpy of Vaporization: 59.952 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)S(=O)(=O)c1ccc(s1)Br
(2)InChI: InChI=1/C7H9BrO2S2/c1-5(2)12(9,10)7-4-3-6(8)11-7/h3-5H,1-2H3
(3)InChIKey: XNGBOWTXDXREBB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H9BrO2S2/c1-5(2)12(9,10)7-4-3-6(8)11-7/h3-5H,1-2H3
(5)Std. InChIKey: XNGBOWTXDXREBB-UHFFFAOYSA-N