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Ethyl thiobutyrate

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Name

Ethyl thiobutyrate

EINECS N/A
CAS No. 20807-99-2 Density 0.953 g/cm3
PSA 41.32000 LogP 2.15040
Solubility N/A Melting Point N/A
Formula C6H12OS Boiling Point 164.9 °C at 760 mmHg
Molecular Weight 132.227 Flash Point 48.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20807-99-2 (ETHYL THIOBUTYRATE) Hazard Symbols N/A
Synonyms

Butyricacid, thio-, S-ethyl ester (6CI,7CI,8CI);Ethyl thiobutyrate;S-Butyrylethanethiol;S-Ethyl butanethioate;S-Ethyl thiobutanoate;

Article Data 10

Ethyl thiobutyrate Specification

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

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