bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium

C32H30F2N4PdS4 — CID 50930356

IUPACbis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium
SMILESC/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.C/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.[Pd]
InChIInChI=1S/2C16H15FN2S2.Pd/c2*1-12(14-9-5-6-10-15(14)17)18-19-16(20)21-11-13-7-3-2-4-8-13;/h2*2-10H,11H2,1H3,(H,19,20);/b2*18-12-;
InChIKeyWUSYYPZMWZCOIA-MGJDWUFUSA-N
MW743.30 g/mol
LogP8.71
Rot. Bonds8

About bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium

bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium (PubChem CID 50930356) has the molecular formula C32H30F2N4PdS4 and a molecular weight of 743.30 g/mol. Its IUPAC name is bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium.

Molecular Properties

Compound Namebis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium
PubChem CID50930356
Molecular FormulaC32H30F2N4PdS4
Molecular Weight743.30 g/mol
Exact Mass742.04
IUPAC Namebis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium
SMILESC/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.C/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.[Pd]
InChIInChI=1S/2C16H15FN2S2.Pd/c2*1-12(14-9-5-6-10-15(14)17)18-19-16(20)21-11-13-7-3-2-4-8-13;/h2*2-10H,11H2,1H3,(H,19,20);/b2*18-12-;
InChIKeyWUSYYPZMWZCOIA-MGJDWUFUSA-N
XLogP8.71
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.30
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

bis([benzylsulfanyl(sulfoniumylidene)methyl]-[(Z)-1-(2-fluorophenyl)ethylideneamino]azanide);palladium
CID 9579006
Benzyl N'-benzhydrylidenehydrazinecarbodithioate
CID 86020457
Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate
CID 139081979
benzyl N-[1-(2-fluorophenyl)ethylideneamino]carbamodithioate
CID 3005798
benzyl N-[(E)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate
CID 6183594
benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate
CID 9579007
Bis([benzylsulfanyl(sulfoniumylidene)methyl]-[1-(2-fluorophenyl)ethylideneamino]azanide);palladium(2+)
CID 4678257
bis([benzylsulfanyl(sulfoniumylidene)methyl]-[(E)-1-(2-fluorophenyl)ethylideneamino]azanide);palladium
CID 5494237
benzyl N-[(E)-1-(4-phenylphenyl)ethylideneamino]carbamodithioate
CID 10533402
bis(benzyl N-[(2-fluorophenyl)methylideneamino]carbamodithioate);dibutyltin
CID 50909647
bis(methyl N-(benzhydrylideneamino)carbamodithioate);palladium
CID 50909936
bis(methyl N-(benzhydrylideneamino)carbamodithioate);platinum
CID 50910054

Frequently Asked Questions

What is the IUPAC name of bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium?
The IUPAC name of bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium (CID 50930356) is bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium.
What is the SMILES notation for bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium?
The canonical SMILES for bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium is C/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.C/C(=N/NC(=S)SCc1ccccc1)c1ccccc1F.[Pd].
What is the InChIKey of bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium?
The InChIKey is WUSYYPZMWZCOIA-MGJDWUFUSA-N. The full InChI is InChI=1S/2C16H15FN2S2.Pd/c2*1-12(14-9-5-6-10-15(14)17)18-19-16(20)21-11-13-7-3-2-4-8-13;/h2*2-10H,11H2,1H3,(H,19,20);/b2*18-12-;.
What are the key properties of bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium?
bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium has a molecular weight of 743.30 g/mol, XLogP of 8.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate);palladium is sourced from PubChem (CID 50930356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).