1H-pyrrole;sulfane;zinc

C4H7NSZn — CID 160744760

IUPAC1H-pyrrole;sulfane;zinc
SMILESS.[Zn].c1cc[nH]c1
InChIInChI=1S/C4H5N.H2S.Zn/c1-2-4-5-3-1;;/h1-5H;1H2;
InChIKeyXCWOYDVGQYJJNZ-UHFFFAOYSA-N
MW166.56 g/mol
LogP1.12
Rot. Bonds

About 1H-pyrrole;sulfane;zinc

1H-pyrrole;sulfane;zinc (PubChem CID 160744760) has the molecular formula C4H7NSZn and a molecular weight of 166.56 g/mol. Its IUPAC name is 1H-pyrrole;sulfane;zinc.

Molecular Properties

Compound Name1H-pyrrole;sulfane;zinc
PubChem CID160744760
Molecular FormulaC4H7NSZn
Molecular Weight166.56 g/mol
Exact Mass164.96
IUPAC Name1H-pyrrole;sulfane;zinc
SMILESS.[Zn].c1cc[nH]c1
InChIInChI=1S/C4H5N.H2S.Zn/c1-2-4-5-3-1;;/h1-5H;1H2;
InChIKeyXCWOYDVGQYJJNZ-UHFFFAOYSA-N
XLogP1.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;sulfane;zinc?
The IUPAC name of 1H-pyrrole;sulfane;zinc (CID 160744760) is 1H-pyrrole;sulfane;zinc.
What is the SMILES notation for 1H-pyrrole;sulfane;zinc?
The canonical SMILES for 1H-pyrrole;sulfane;zinc is S.[Zn].c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;sulfane;zinc?
The InChIKey is XCWOYDVGQYJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.H2S.Zn/c1-2-4-5-3-1;;/h1-5H;1H2;.
What are the key properties of 1H-pyrrole;sulfane;zinc?
1H-pyrrole;sulfane;zinc has a molecular weight of 166.56 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;sulfane;zinc is sourced from PubChem (CID 160744760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).