dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)

C24H62Cl2P4Pd2S3Ti — CID 11366510

IUPACdichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.S=[Ti](Cl)Cl.[Pd+2].[Pd].[SH-].[SH-]
InChIInChI=1S/4C6H15P.2ClH.2Pd.2H2S.S.Ti/c4*1-4-7(5-2)6-3;;;;;;;;/h4*4-6H2,1-3H3;2*1H;;;2*1H2;;/q;;;;;;;+2;;;;+2/p-4
InChIKeyJLEQCFNMKHWFHH-UHFFFAOYSA-J
MW902.47 g/mol
LogP11.59
Rot. Bonds12

About dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)

dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane) (PubChem CID 11366510) has the molecular formula C24H62Cl2P4Pd2S3Ti and a molecular weight of 902.47 g/mol. Its IUPAC name is dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane).

Molecular Properties

Compound Namedichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)
PubChem CID11366510
Molecular FormulaC24H62Cl2P4Pd2S3Ti
Molecular Weight902.47 g/mol
Exact Mass899.99
IUPAC Namedichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.S=[Ti](Cl)Cl.[Pd+2].[Pd].[SH-].[SH-]
InChIInChI=1S/4C6H15P.2ClH.2Pd.2H2S.S.Ti/c4*1-4-7(5-2)6-3;;;;;;;;/h4*4-6H2,1-3H3;2*1H;;;2*1H2;;/q;;;;;;;+2;;;;+2/p-4
InChIKeyJLEQCFNMKHWFHH-UHFFFAOYSA-J
XLogP11.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.47
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)?
The IUPAC name of dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane) (CID 11366510) is dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane).
What is the SMILES notation for dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)?
The canonical SMILES for dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane) is CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.S=[Ti](Cl)Cl.[Pd+2].[Pd].[SH-].[SH-].
What is the InChIKey of dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)?
The InChIKey is JLEQCFNMKHWFHH-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H15P.2ClH.2Pd.2H2S.S.Ti/c4*1-4-7(5-2)6-3;;;;;;;;/h4*4-6H2,1-3H3;2*1H;;;2*1H2;;/q;;;;;;;+2;;;;+2/p-4.
What are the key properties of dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane)?
dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane) has a molecular weight of 902.47 g/mol, XLogP of 11.59, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(sulfanylidene)titanium;palladium;palladium(2+);sulfanide;tetrakis(triethylphosphane) is sourced from PubChem (CID 11366510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).