Structure Database (LMSD)

Common Name
3-methyl-thiopropionic acid
Systematic Name
3-(methyl-sulfanyl)-propanoic acid
Synonyms
LM ID
LMFA01130006
Status
Active
Exact Mass
Calculate m/z
120.024502
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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

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Created at
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Updated at
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