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CAS No.: | 4271-48-1 |
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Name: | 2-ethenylsulfonylethanol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H8O3S |
Molecular Weight: | 136.172 |
Synonyms: | 2-Ethenylsulfonylethanol;Ethanol, 2-(vinylsulfonyl)- (7CI,8CI);Vinyl 2-hydroxyethyl sulfone;Vinyl hydroxyethyl sulfone;NSC 24335;2-Hydroxyethyl vinyl sulfone; |
Density: | 1.259 g/cm3 |
Boiling Point: | 341.025 °C at 760 mmHg |
Flash Point: | 160.047 °C |
PSA: | 62.75000 |
LogP: | 0.61780 |
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2-(Vinylsulfonyl)ethanol is an organic compound with the formula C4H8O3S, and its systematic name is the same with the product name. With the CAS registry number 4271-48-1, it is also named as 2-Hydroxyethyl vinyl sulfone. In addition, the molecular weight is 136.17.
Physical properties of 2-(Vinylsulfonyl)ethanol are: (1)ACD/LogP: -0.524; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.36; (8)ACD/KOC (pH 7.4): 12.36; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.75 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 30.682 cm3; (15)Molar Volume: 108.195 cm3; (16)Polarizability: 12.163×10-24cm3; (17)Surface Tension: 44.99 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 160.047 °C; (20)Enthalpy of Vaporization: 67.721 kJ/mol; (21)Boiling Point: 341.025 °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=C)CCO
(2)Std. InChI: InChI=1S/C4H8O3S/c1-2-8(6,7)4-3-5/h2,5H,1,3-4H2
(3)Std. InChIKey: MDNRSTYOUUKRGH-UHFFFAOYSA-N