Structure Database (LMSD)
Common Name
2-oxo-4-methylthio-butanoic acid
Systematic Name
2-oxo-4-methylthio-butanoic acid
Synonyms
- 4-Methylthio-2-oxobutanoic acid
3D model of 2-oxo-4-methylthio-butanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SXFSQZDSUWACKX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
C(=O)(CCSC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
134.66
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.68
Molar Refractivity
36.13
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Created at
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Updated at
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