Structure Database (LMSD)
Common Name
3-methyl-thiopropionic acid
Systematic Name
3-(methyl-sulfanyl)-propanoic acid
Synonyms
3D model of 3-methyl-thiopropionic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CAOMCZAIALVUPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
SMILES (Click to copy)
C(=O)(O)CCSC
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
111.21
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.11
Molar Refractivity
31.12
Admin
Created at
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Updated at
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