benzenethiol;palladium

C6H6PdS — CID 174858615

IUPACbenzenethiol;palladium
SMILESSc1ccccc1.[Pd]
InChIInChI=1S/C6H6S.Pd/c7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeySLZLHCUILZJXJE-UHFFFAOYSA-N
MW216.60 g/mol
LogP1.97
Rot. Bonds

About benzenethiol;palladium

benzenethiol;palladium (PubChem CID 174858615) has the molecular formula C6H6PdS and a molecular weight of 216.60 g/mol. Its IUPAC name is benzenethiol;palladium.

Molecular Properties

Compound Namebenzenethiol;palladium
PubChem CID174858615
Molecular FormulaC6H6PdS
Molecular Weight216.60 g/mol
Exact Mass215.92
IUPAC Namebenzenethiol;palladium
SMILESSc1ccccc1.[Pd]
InChIInChI=1S/C6H6S.Pd/c7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeySLZLHCUILZJXJE-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.60
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21119592

Frequently Asked Questions

What is the IUPAC name of benzenethiol;palladium?
The IUPAC name of benzenethiol;palladium (CID 174858615) is benzenethiol;palladium.
What is the SMILES notation for benzenethiol;palladium?
The canonical SMILES for benzenethiol;palladium is Sc1ccccc1.[Pd].
What is the InChIKey of benzenethiol;palladium?
The InChIKey is SLZLHCUILZJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.Pd/c7-6-4-2-1-3-5-6;/h1-5,7H;.
What are the key properties of benzenethiol;palladium?
benzenethiol;palladium has a molecular weight of 216.60 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;palladium is sourced from PubChem (CID 174858615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).