Butanethioic acid,S-ethyl ester (20807-99-2)

The Ethyl thiobutyrate with the CAS number 20807-99-2 is also called Butanethioic acid,S-ethyl ester. Both the systematic name and IUPAC name are S-ethyl butanethioate. Its molecular formula is C₆H₁₂OS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Ethyl thiobutyrate are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.1; (6)ACD/BCF (pH 7.4): 34.1; (7)ACD/KOC (pH 5.5): 435.26; (8)ACD/KOC (pH 7.4): 435.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 37.87 cm³; (15)Molar Volume: 138.6 cm³; (16)Polarizability: 15.01×10^-24cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Enthalpy of Vaporization: 40.14 kJ/mol; (19)Vapour Pressure: 1.92 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCC)CCC
(2)InChI: InChI=1/C6H12OS/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
(3)InChIKey: WLJXESLORBMHBD-UHFFFAOYAC