Allyl mercaptan (870-23-5)

The IUPAC name of Allyl mercaptan is prop-2-ene-1-thiol. With the CAS registry number 870-23-5, it is also named as 2-Propene-1-thiol. The product's categories are API Intermediates; Thiol Flavor. It is colourless to faintly yellow-brown liquid which is slightly soluble in water, soluble in ethanol, ether and oils. In addition, this chemical is stable, but incompatible with strong bases, strong oxidizing agents, reactive metals. The pure product exists in onion and garlic. What's more, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.23; (6)ACD/BCF (pH 7.4): 8.19; (7)ACD/KOC (pH 5.5): 157.28; (8)ACD/KOC (pH 7.4): 156.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 23.56 cm³; (14)Molar Volume: 87.1 cm³; (15)Polarizability: 9.34×10^-24 cm³; (16)Surface Tension: 23.6 dyne/cm; (17)Enthalpy of Vaporization: 29.73 kJ/mol; (18)Vapour Pressure: 152 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 74.019021; (21)MonoIsotopic Mass: 74.019021; (22)Topological Polar Surface Area: 1; (23)Heavy Atom Count: 4; (24)Complexity: 17.2.

Preparation of Allyl mercaptan: It can be obtained by diallyldisulfane. This reaction needs reagent Mg and solvent methanol and benzene at ambient temperature. The reaction time is 100 min. The yield is 83%. 

Uses of Allyl mercaptan: It is used as food flavor. And it can react with propenal to get 3-allylsulfanyl-propionaldehyde. This reaction needs reagent Na.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition and keep container in a well-ventilated place. Take precautionary measures against static discharges. 

People can use the following data to convert to the molecule structure.
1. SMILES:C=CCS
2. InChI:InChI=1/C3H6S/c1-2-3-4/h2,4H,1,3H2
3. InChIKey:ULIKDJVNUXNQHS-UHFFFAOYAT