Allyl Methanethiosulfonate

The Methanesulfonothioicacid, S-2-propen-1-yl ester with CAS registry number of 14202-77-8 is also known as Allyl methanethiosulfonate. The systematic name is S-prop-2-en-1-yl Methanesulfonothioate. It belongs to product categories of MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents. In addition, the formula is C₄H₈O₂S₂ and the molecular weight is 152.24. What's more, this chemical is a clear colourless liquid and it is used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

Physical properties about Methanesulfonothioicacid, S-2-propen-1-yl ester are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.94; (5)ACD/BCF (pH 7.4): 3.94; (6)ACD/KOC (pH 5.5): 92.94; (7)ACD/KOC (pH 7.4): 92.94; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 37.16 cm³; (12)Molar Volume: 124.6 cm³; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.221 g/cm³; (15)Flash Point: 117.9 °C; (16)Enthalpy of Vaporization: 48.91 kJ/mol; (17)Boiling Point: 271.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0108 mmHg at 25 °C.

Uses of Methanesulfonothioicacid, S-2-propen-1-yl ester: it is used to produce allyl o-(allylthiomethyl)phenyl disulfide by reaction with allyl (o-mercaptophenyl)methyl sulfide. The reaction occurs with reagent n-butyllithium and solvents hexane, tetrahydrofuran at ambient temperature for 30 minutes. The yield is about 97%.

You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(SC\C=C)C
2. InChI: InChI=1/C4H8O2S2/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3
3. InChIKey: UWKDUBWNZZTSQL-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3
5. Std. InChIKey: UWKDUBWNZZTSQL-UHFFFAOYSA-N