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Name |
Pentane,1,1-bis(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 6330-38-7 | Density | 1.224 g/cm3 |
PSA | 85.04000 | LogP | 2.75350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H16O4S2 | Boiling Point | 445.8 °C at 760 mmHg |
Molecular Weight | 228.33 | Flash Point | 291 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 47020;1,1-Bis(methylsulfonyl)pentane; |
The Pentane,1,1-bis(methylsulfonyl)- has the CAS registry number 6330-38-7. This chemical's molecular formula is C7H16O4S2 and molecular weight is 228.33. What's more, its systematic name is 1,1-Bis(methylsulfonyl)pentane.
Physical properties of Pentane,1,1-bis(methylsulfonyl)- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 85.04 Å2; (7)Index of Refraction: 1.47; (8)Molar Refractivity: 52.06 cm3; (9)Molar Volume: 186.5 cm3; (10)Polarizability: 20.64×10-24 cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.224 g/cm3; (13)Flash Point: 291 °C; (14)Enthalpy of Vaporization: 67.67 kJ/mol; (15)Boiling Point: 445.8 °C at 760 mmHg; (16)Vapour Pressure: 1.01E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(C(CCCC)S(=O)(=O)C)C
(2)InChI: InChI=1/C7H16O4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h7H,4-6H2,1-3H3
(3)InChIKey: NZHDJFJYVVYBEJ-UHFFFAOYSA-N