CID 131880811

C6H12O2PbS4 — CID 131880811

IUPAC—
SMILESCCOC(=S)S.CCOC(=S)S.[Pb]
InChIInChI=1S/2C3H6OS2.Pb/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);
InChIKeyUHQQNKHQPWMYNJ-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.09
Rot. Bonds2

About CID 131880811

CID 131880811 (PubChem CID 131880811) has the molecular formula C6H12O2PbS4 and a molecular weight of 451.63 g/mol.

Molecular Properties

Compound NameCID 131880811
PubChem CID131880811
Molecular FormulaC6H12O2PbS4
Molecular Weight451.63 g/mol
Exact Mass451.95
IUPAC Name—
SMILESCCOC(=S)S.CCOC(=S)S.[Pb]
InChIInChI=1S/2C3H6OS2.Pb/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);
InChIKeyUHQQNKHQPWMYNJ-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 162340121
CID 162340121
ethoxymethanedithioic acid;hexadecane;zinc
CID 87550227
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
CID 87972145
CID 87972145
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
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Frequently Asked Questions

What is the IUPAC name of CID 131880811?
The IUPAC name of CID 131880811 (CID 131880811) is not available.
What is the SMILES notation for CID 131880811?
The canonical SMILES for CID 131880811 is CCOC(=S)S.CCOC(=S)S.[Pb].
What is the InChIKey of CID 131880811?
The InChIKey is UHQQNKHQPWMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6OS2.Pb/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);.
What are the key properties of CID 131880811?
CID 131880811 has a molecular weight of 451.63 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131880811 is sourced from PubChem (CID 131880811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).