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
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
Other Databases
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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