CID 6330410

C13H23O3PbS — CID 6330410

IUPAC—
SMILESCC[Pb](CC)CC.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8O3S.3C2H5.Pb/c1-6-2-4-7(5-3-6)11(8,9)10;3*1-2;/h2-5H,1H3,(H,8,9,10);3*1H2,2H3;
InChIKeyNZWISUDBAGYRKQ-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.78
Rot. Bonds4

About CID 6330410

CID 6330410 (PubChem CID 6330410) has the molecular formula C13H23O3PbS and a molecular weight of 466.59 g/mol.

Molecular Properties

Compound NameCID 6330410
PubChem CID6330410
Molecular FormulaC13H23O3PbS
Molecular Weight466.59 g/mol
Exact Mass467.11
IUPAC Name—
SMILESCC[Pb](CC)CC.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8O3S.3C2H5.Pb/c1-6-2-4-7(5-3-6)11(8,9)10;3*1-2;/h2-5H,1H3,(H,8,9,10);3*1H2,2H3;
InChIKeyNZWISUDBAGYRKQ-UHFFFAOYSA-N
XLogP3.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6330410?
The IUPAC name of CID 6330410 (CID 6330410) is not available.
What is the SMILES notation for CID 6330410?
The canonical SMILES for CID 6330410 is CC[Pb](CC)CC.Cc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of CID 6330410?
The InChIKey is NZWISUDBAGYRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.3C2H5.Pb/c1-6-2-4-7(5-3-6)11(8,9)10;3*1-2;/h2-5H,1H3,(H,8,9,10);3*1H2,2H3;.
What are the key properties of CID 6330410?
CID 6330410 has a molecular weight of 466.59 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330410 is sourced from PubChem (CID 6330410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).