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CAS No.: | 2580-77-0 |
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Name: | 2,2'-SULFONYLDIETHANOL |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C4H10O4S |
Molecular Weight: | 154.187 |
Synonyms: | Ethanol,2,2'-sulfonyldi- (6CI,8CI);2,2'-Sulfonylbis[ethanol];2,2'-Sulfonyldi[ethanol];BHES 50;Bis(2-hydroxyethyl) sulfone;Bis(b-hydroxyethyl) sulfone;NSC32716;NSC 50845;Thiodiglycol sulfone;b,b'-Dihydroxyethyl sulfone;b-Hydroxyethyl sulfone; |
EINECS: | 219-948-3 |
Density: | 1.393 g/cm3 |
Melting Point: | 58.1 °C |
Boiling Point: | 432.3 °C at 760 mmHg |
Flash Point: | 215.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 82.98000 |
LogP: | -0.53340 |
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This chemical is called Ethanol, 2,2'-sulfonylbis-, and it can also be named as 2,2'-Sulfinylbisethanol. With the molecular formula of C4H10O4S, its molecular weight is 154.18. The CAS registry number of this chemical is 2580-77-0. Additionally, its product category is Industrial/Fine Chemicals. It's metabolite of sulfur mustard.
Other characteristics of the Ethanol, 2,2'-sulfonylbis- can be summarised as followings: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.98; (8)ACD/KOC (pH 7.4): 1.98; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 32.44 cm3; (15)Molar Volume: 110.6 cm3; (16)Polarizability: 12.86×10-24cm3; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.393 g/cm3; (19)Flash Point: 215.2 °C; (20)Enthalpy of Vaporization: 79.43 kJ/mol; (21)Boiling Point: 432.3 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(CCO)CCO
2.InChI: InChI=1/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2
3.InChIKey: QQLILYBIARWEIF-UHFFFAOYAA