Structure Database (LMSD)
Common Name
Methyl 3-(methylthio)butanoate
Systematic Name
methyl 3-(methylsulfanyl)butanoate
Synonyms
3D model of Methyl 3-(methylthio)butanoate
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)
HJJHJUWCICDDEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3
SMILES (Click to copy)
O=C(CC(C)SC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
145.81
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.59
Molar Refractivity
40.12
Admin
Created at
-
Updated at
6th Jun 2022