CID 6327851

C25H22PbS- — CID 6327851

IUPAC—
SMILES[S-]Cc1ccccc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/p-1
InChIKeyHTSOYUNRLBBJEZ-UHFFFAOYSA-M
MW561.72 g/mol
LogP3.94
Rot. Bonds4

About CID 6327851

CID 6327851 (PubChem CID 6327851) has the molecular formula C25H22PbS- and a molecular weight of 561.72 g/mol.

Molecular Properties

Compound NameCID 6327851
PubChem CID6327851
Molecular FormulaC25H22PbS-
Molecular Weight561.72 g/mol
Exact Mass562.12
IUPAC Name—
SMILES[S-]Cc1ccccc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/p-1
InChIKeyHTSOYUNRLBBJEZ-UHFFFAOYSA-M
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.72
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6327851?
The IUPAC name of CID 6327851 (CID 6327851) is not available.
What is the SMILES notation for CID 6327851?
The canonical SMILES for CID 6327851 is [S-]Cc1ccccc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6327851?
The InChIKey is HTSOYUNRLBBJEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/p-1.
What are the key properties of CID 6327851?
CID 6327851 has a molecular weight of 561.72 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6327851 is sourced from PubChem (CID 6327851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).