Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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