manganese;3-sulfanylpropanoic acid;zinc

C3H6MnO2SZn — CID 161292354

IUPACmanganese;3-sulfanylpropanoic acid;zinc
SMILESO=C(O)CCS.[Mn].[Zn]
InChIInChI=1S/C3H6O2S.Mn.Zn/c4-3(5)1-2-6;;/h6H,1-2H2,(H,4,5);;
InChIKeyVGNDTLULWFYOFS-UHFFFAOYSA-N
MW226.47 g/mol
LogP0.39
Rot. Bonds2

About manganese;3-sulfanylpropanoic acid;zinc

manganese;3-sulfanylpropanoic acid;zinc (PubChem CID 161292354) has the molecular formula C3H6MnO2SZn and a molecular weight of 226.47 g/mol. Its IUPAC name is manganese;3-sulfanylpropanoic acid;zinc.

Molecular Properties

Compound Namemanganese;3-sulfanylpropanoic acid;zinc
PubChem CID161292354
Molecular FormulaC3H6MnO2SZn
Molecular Weight226.47 g/mol
Exact Mass224.88
IUPAC Namemanganese;3-sulfanylpropanoic acid;zinc
SMILESO=C(O)CCS.[Mn].[Zn]
InChIInChI=1S/C3H6O2S.Mn.Zn/c4-3(5)1-2-6;;/h6H,1-2H2,(H,4,5);;
InChIKeyVGNDTLULWFYOFS-UHFFFAOYSA-N
XLogP0.39
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.47
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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butan-1-ol;bis(3-sulfanylpropanoic acid)
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Frequently Asked Questions

What is the IUPAC name of manganese;3-sulfanylpropanoic acid;zinc?
The IUPAC name of manganese;3-sulfanylpropanoic acid;zinc (CID 161292354) is manganese;3-sulfanylpropanoic acid;zinc.
What is the SMILES notation for manganese;3-sulfanylpropanoic acid;zinc?
The canonical SMILES for manganese;3-sulfanylpropanoic acid;zinc is O=C(O)CCS.[Mn].[Zn].
What is the InChIKey of manganese;3-sulfanylpropanoic acid;zinc?
The InChIKey is VGNDTLULWFYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S.Mn.Zn/c4-3(5)1-2-6;;/h6H,1-2H2,(H,4,5);;.
What are the key properties of manganese;3-sulfanylpropanoic acid;zinc?
manganese;3-sulfanylpropanoic acid;zinc has a molecular weight of 226.47 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;3-sulfanylpropanoic acid;zinc is sourced from PubChem (CID 161292354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).