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CAS No.: | 67294-81-9 |
---|---|
Name: | tris(methylsulfonyl)methane |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H10O6S3 |
Molecular Weight: | 250.318 |
Synonyms: | Trimethylsulfonylmethane; |
Density: | 1.584 g/cm3 |
Boiling Point: | 633.466 °C at 760 mmHg |
Flash Point: | 468.836 °C |
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The Methane,sulfonylbis[(methylsulfonyl)- (9CI), with the CAS registry number 67294-81-9, is also known as Trimethylsulfonylmethane. This chemical's molecular formula is C4H10O6S3 and molecular weight is 250.31. What's more, both its IUPAC name and systematic name are the same which is called Tris(methylsulfonyl)methane.
Physical properties about Methane,sulfonylbis[(methylsulfonyl)- (9CI) are: (1)ACD/LogP: 0.259; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 32.94; (8)ACD/KOC (pH 7.4): 32.94; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 127.56 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 46.994 cm3; (15)Molar Volume: 158.037 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 59.131 dyne/cm; (18)Density: 1.584 g/cm3; (19)Flash Point: 468.836 °C; (20)Enthalpy of Vaporization: 90.226 kJ/mol; (21)Boiling Point: 633.466 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(C(S(=O)(=O)C)S(=O)(=O)C)C
(2) InChI: InChI=1S/C4H10O6S3/c1-11(5,6)4(12(2,7)8)13(3,9)10/h4H,1-3H3
(3) InChIKey: QYBXIUDBUIUBHS-UHFFFAOYSA-N