bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)

C24H24N6O2PdS2 — CID 52913665

IUPACbis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)
SMILES[Pd+2].[S-]C(N/N=C\c1ccco1)Nc1ccccc1.[S-]C(N/N=C\c1ccco1)Nc1ccccc1
InChIInChI=1S/2C12H13N3OS.Pd/c2*17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11;/h2*1-9,12,14-15,17H;/q;;+2/p-2/b2*13-9-;
InChIKeyWKMKYAFCUQHVIG-WUYZPBGVSA-L
MW599.05 g/mol
LogP4.29
Rot. Bonds10

About bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)

bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+) (PubChem CID 52913665) has the molecular formula C24H24N6O2PdS2 and a molecular weight of 599.05 g/mol. Its IUPAC name is bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+).

Molecular Properties

Compound Namebis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)
PubChem CID52913665
Molecular FormulaC24H24N6O2PdS2
Molecular Weight599.05 g/mol
Exact Mass598.04
IUPAC Namebis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)
SMILES[Pd+2].[S-]C(N/N=C\c1ccco1)Nc1ccccc1.[S-]C(N/N=C\c1ccco1)Nc1ccccc1
InChIInChI=1S/2C12H13N3OS.Pd/c2*17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11;/h2*1-9,12,14-15,17H;/q;;+2/p-2/b2*13-9-;
InChIKeyWKMKYAFCUQHVIG-WUYZPBGVSA-L
XLogP4.29
TPSA99.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.05
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)?
The IUPAC name of bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+) (CID 52913665) is bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+).
What is the SMILES notation for bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)?
The canonical SMILES for bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+) is [Pd+2].[S-]C(N/N=C\c1ccco1)Nc1ccccc1.[S-]C(N/N=C\c1ccco1)Nc1ccccc1.
What is the InChIKey of bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)?
The InChIKey is WKMKYAFCUQHVIG-WUYZPBGVSA-L. The full InChI is InChI=1S/2C12H13N3OS.Pd/c2*17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11;/h2*1-9,12,14-15,17H;/q;;+2/p-2/b2*13-9-;.
What are the key properties of bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)?
bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+) has a molecular weight of 599.05 g/mol, XLogP of 4.29, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+) is sourced from PubChem (CID 52913665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).