Structure Database (LMSD)
Common Name
Ethyl 4-(methylthio)butyrate
Systematic Name
ethyl 4-(methylsulfanyl)butanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl 4-(methylthio)butyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
QNLREUZIHJHXRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2S/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3
SMILES (Click to copy)
O(CC)C(=O)CCCSC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
163.11
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.26
Molar Refractivity
45.23
Admin
Created at
-
Updated at
6th Jun 2022