Structure Database (LMSD)
Common Name
Methylthiomethyl butyrate
Systematic Name
(methylsulfanyl)methyl butanoate
Synonyms
3D model of Methylthiomethyl 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)
PGAUNUCMBMQPFT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2S/c1-3-4-6(7)8-5-9-2/h3-5H2,1-2H3
SMILES (Click to copy)
O(C(=O)CCC)CSC
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
1.65
Molar Refractivity
39.38
Admin
Created at
-
Updated at
6th Jun 2022