Ethanethioic acid S-ethyl ester

The Ethanethioic acid,S-ethyl ester, with CAS registry number 625-60-5, belongs to the following product categories: (1)API intermediates; (2)Thioester Flavor; (3)Alphabetical Listings; (4)E-F; (5)Flavors and Fragrances. It has the systematic name of S-ethyl ethanethioate. This chemical can be prepared by acetyl chloride and ethanethiol. The main use of this chemical is for flavorant.

Physical properties of Ethanethioic acid,S-ethyl ester: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.98; (8)ACD/KOC (pH 7.4): 114.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 28.6 cm³; (15)Molar Volume: 105.6 cm³; (16)Polarizability: 11.34×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 35.47 kJ/mol; (19)Vapour Pressure: 18.2 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanethioic acid,S-ethyl ester is highly flammable, so keep it away from sources of ignition. This chemical is harmful by inhalation, in contact with skin and if swallowed, so do not breathe vapour. It has risk of serious damage to the eyes. And this chemical  irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC)C
(2)InChI: InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
(3)InChIKey: APTGPWJUOYMUCE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
(5)Std. InChIKey: APTGPWJUOYMUCE-UHFFFAOYSA-N