CID 72786756

C2H8O6PbS2 — CID 72786756

IUPAC—
SMILESCS(=O)(=O)O.CS(=O)(=O)O.[Pb]
InChIInChI=1S/2CH4O3S.Pb/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);
InChIKeyCPPJKGQUFWEUCB-UHFFFAOYSA-N
MW399.41 g/mol
LogP-1.37
Rot. Bonds

About CID 72786756

CID 72786756 (PubChem CID 72786756) has the molecular formula C2H8O6PbS2 and a molecular weight of 399.41 g/mol.

Molecular Properties

Compound NameCID 72786756
PubChem CID72786756
Molecular FormulaC2H8O6PbS2
Molecular Weight399.41 g/mol
Exact Mass399.95
IUPAC Name—
SMILESCS(=O)(=O)O.CS(=O)(=O)O.[Pb]
InChIInChI=1S/2CH4O3S.Pb/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);
InChIKeyCPPJKGQUFWEUCB-UHFFFAOYSA-N
XLogP-1.37
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 72786756?
The IUPAC name of CID 72786756 (CID 72786756) is not available.
What is the SMILES notation for CID 72786756?
The canonical SMILES for CID 72786756 is CS(=O)(=O)O.CS(=O)(=O)O.[Pb].
What is the InChIKey of CID 72786756?
The InChIKey is CPPJKGQUFWEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4O3S.Pb/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);.
What are the key properties of CID 72786756?
CID 72786756 has a molecular weight of 399.41 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72786756 is sourced from PubChem (CID 72786756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).