Structure Database (LMSD)
Common Name
Methyl 4-(methylthio)butyrate
Systematic Name
methyl 4-(methylsulfanyl)butanoate
Synonyms
3D model of Methyl 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)
HQDLZISNHUMXEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
SMILES (Click to copy)
O(C)C(=O)CCCSC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
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