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Bis(vinylsulfonyl)methane

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Name

Bis(vinylsulfonyl)methane

EINECS 221-909-0
CAS No. 3278-22-6 Density 1.369 g/cm3
PSA 85.04000 LogP 2.22210
Solubility N/A Melting Point 62 °C
Formula C5H8O4S2 Boiling Point 466.6 °C at 760 mmHg
Molecular Weight 196.24 Flash Point 329.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 3278-22-6 (Bis(vinylsulfonyl)methane) Hazard Symbols Xi
Synonyms

Methane,bis(vinylsulfonyl)- (7CI,8CI);1,1-Bis(vinylsulfonyl)methane;{[(ethenylsulfonyl)methyl]sulfonyl}ethene;1-(ethenylsulfonylmethylsulfonyl)ethene;

 

Bis(vinylsulfonyl)methane Specification

The Bis(vinylsulfonyl)methane with the CAS registry number 3278-22-6 and EINECS registry number 221-909-0 is also called Ethene,1,1'-[methylenebis(sulfonyl)]bis-. The IUPAC name is 1-(ethenylsulfonylmethylsulfonyl)ethene. It belongs to the class of Pharmaceutical Intermediates. In addition, the molecular formula is C5H8O4S2 and the molecular weight is 196.24. It should be stored in a cool, ventilated and dry place.

The characteristics of Bis(vinylsulfonyl)methane are as followings: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.04 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 42.36 cm3; (15)Molar Volume: 143.3 cm3; (16)Polarizability: 16.79×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 329.3 °C; (20)Enthalpy of Vaporization: 70.06 kJ/mol; (21)Boiling Point: 466.6 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(\C=C)CS(=O)(=O)\C=C
(2InChI: InChI=1/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2
(3)InChIKey: IJHIIHORMWQZRQ-UHFFFAOYAP

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