CID 102009257

C26H22OPbS2- — CID 102009257

IUPAC—
SMILESCOc1ccc(C(=S)[S-])cc1.[Pb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C8H8OS2.3C6H5.Pb/c1-9-7-4-2-6(3-5-7)8(10)11;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11);3*1-5H;/p-1
InChIKeyFKXKZDOEWKMHFZ-UHFFFAOYSA-M
MW621.80 g/mol
LogP6.00
Rot. Bonds2

About CID 102009257

CID 102009257 (PubChem CID 102009257) has the molecular formula C26H22OPbS2- and a molecular weight of 621.80 g/mol.

Molecular Properties

Compound NameCID 102009257
PubChem CID102009257
Molecular FormulaC26H22OPbS2-
Molecular Weight621.80 g/mol
Exact Mass622.09
IUPAC Name—
SMILESCOc1ccc(C(=S)[S-])cc1.[Pb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C8H8OS2.3C6H5.Pb/c1-9-7-4-2-6(3-5-7)8(10)11;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11);3*1-5H;/p-1
InChIKeyFKXKZDOEWKMHFZ-UHFFFAOYSA-M
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.80
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102009257?
The IUPAC name of CID 102009257 (CID 102009257) is not available.
What is the SMILES notation for CID 102009257?
The canonical SMILES for CID 102009257 is COc1ccc(C(=S)[S-])cc1.[Pb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.
What is the InChIKey of CID 102009257?
The InChIKey is FKXKZDOEWKMHFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8OS2.3C6H5.Pb/c1-9-7-4-2-6(3-5-7)8(10)11;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11);3*1-5H;/p-1.
What are the key properties of CID 102009257?
CID 102009257 has a molecular weight of 621.80 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102009257 is sourced from PubChem (CID 102009257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).