Ethanethioic acid,S-2-propen-1-yl ester (23973-51-5)

The CAS register number of Allyl thioacetate is 23973-51-5. It also can be called as Ethanethioic acid,S-2-propen-1-yl ester and the systematic name about this chemical is S-prop-2-en-1-yl ethanethioate. The molecular formula about this chemical is C₅H₈OS and molecular weight is 116.18. It belongs to the Thioester Flavor.

Physical properties about Allyl thioacetate are: (1)ACD/LogP: 1.55; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 42.37Ų; (5)Index of Refraction: 1.474; (6)Molar Refractivity: 32.96 cm³; (7)Molar Volume: 117.2 cm³; (8)Polarizability: 13.06x10^-24cm³; (9)Surface Tension: 30.6 dyne/cm; (10)Enthalpy of Vaporization: 36.95 kJ/mol; (11)Boiling Point: 132 °C at 760 mmHg; (12)Vapour Pressure: 9.06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-bromo-propene and Kaliumthioacetat. This reaction will need solvent acetone. The reaction time is 18 hour(s) at ambient temperature. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SC\C=C)C
(2)InChI: InChI=1/C5H8OS/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
(3)InChIKey: MIRAUQNBKACECA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H8OS/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
(5)Std. InChIKey: MIRAUQNBKACECA-UHFFFAOYSA-N