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189756-89-6

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Basic Information
CAS No.: 189756-89-6
Name: 4-BROMO-[1,2]OXATHIOLANE 2,2-DIOXIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 189756-89-6 (4-BROMO-[1,2]OXATHIOLANE 2,2-DIOXIDE)
Formula: C3H5BrO3S
Molecular Weight: 201.041
Synonyms: 4-BROMO-[1,2]OXATHIOLANE 2,2-DIOXIDE;4-Bromo-2,2-dioxide-1,2-oxathiolane
Density: 1.996 g/cm3
Boiling Point: 364.686 °C at 760 mmHg
Flash Point: 174.356 °C
PSA: 51.75000
LogP: 1.19070
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Specification

This chemical is called 1,2-Oxathiolane,4-bromo-, 2,2-dioxide, and its systematic name is 4-bromooxathiolane 2,2-dioxide. With the molecular formula of C3H5BrO3S, its molecular weight is 201.04. The CAS registry number of this chemical is 189756-89-6. Additionally, its product category is Pharmacetical.

Other characteristics of the 1,2-Oxathiolane,4-bromo-, 2,2-dioxide can be summarised as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 32.153 cm3; (15)Molar Volume: 100.693 cm3; (16)Polarizability: 12.746×10-24cm3; (17)Surface Tension: 52.702 dyne/cm; (18)Density: 1.997 g/cm3; (19)Flash Point: 174.356 °C; (20)Enthalpy of Vaporization: 58.686 kJ/mol; (21)Boiling Point: 364.686 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: C1C(CS(=O)(=O)O1)Br
2.InChI: InChI=1/C3H5BrO3S/c4-3-1-7-8(5,6)2-3/h3H,1-2H2
3.InChIKey: QWGFMEUQQADOOD-UHFFFAOYAU