cyclopropanesulfinic acid;zinc

C3H6O2SZn — CID 158363352

IUPACcyclopropanesulfinic acid;zinc
SMILESO=S(O)C1CC1.[Zn]
InChIInChI=1S/C3H6O2S.Zn/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);
InChIKeyGTSRPKMXDCBFJD-UHFFFAOYSA-N
MW171.54 g/mol
LogP0.37
Rot. Bonds1

About cyclopropanesulfinic acid;zinc

cyclopropanesulfinic acid;zinc (PubChem CID 158363352) has the molecular formula C3H6O2SZn and a molecular weight of 171.54 g/mol. Its IUPAC name is cyclopropanesulfinic acid;zinc.

Molecular Properties

Compound Namecyclopropanesulfinic acid;zinc
PubChem CID158363352
Molecular FormulaC3H6O2SZn
Molecular Weight171.54 g/mol
Exact Mass169.94
IUPAC Namecyclopropanesulfinic acid;zinc
SMILESO=S(O)C1CC1.[Zn]
InChIInChI=1S/C3H6O2S.Zn/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);
InChIKeyGTSRPKMXDCBFJD-UHFFFAOYSA-N
XLogP0.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.54
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfinic acid;zinc?
The IUPAC name of cyclopropanesulfinic acid;zinc (CID 158363352) is cyclopropanesulfinic acid;zinc.
What is the SMILES notation for cyclopropanesulfinic acid;zinc?
The canonical SMILES for cyclopropanesulfinic acid;zinc is O=S(O)C1CC1.[Zn].
What is the InChIKey of cyclopropanesulfinic acid;zinc?
The InChIKey is GTSRPKMXDCBFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S.Zn/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);.
What are the key properties of cyclopropanesulfinic acid;zinc?
cyclopropanesulfinic acid;zinc has a molecular weight of 171.54 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfinic acid;zinc is sourced from PubChem (CID 158363352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).