palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)

C26H22N4PdS2 — CID 10650522

IUPACpalladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
SMILESC/C(=N\c1ccccc1[S-])c1ccccn1.C/C(=N\c1ccccc1[S-])c1ccccn1.[Pd+2]
InChIInChI=1S/2C13H12N2S.Pd/c2*1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-10+;
InChIKeyTYVXZJIDOMJFOE-ZQSWXEMLSA-L
MW561.04 g/mol
LogP6.25
Rot. Bonds4

About palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)

palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate) (PubChem CID 10650522) has the molecular formula C26H22N4PdS2 and a molecular weight of 561.04 g/mol. Its IUPAC name is palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate).

Molecular Properties

Compound Namepalladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
PubChem CID10650522
Molecular FormulaC26H22N4PdS2
Molecular Weight561.04 g/mol
Exact Mass560.03
IUPAC Namepalladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
SMILESC/C(=N\c1ccccc1[S-])c1ccccn1.C/C(=N\c1ccccc1[S-])c1ccccn1.[Pd+2]
InChIInChI=1S/2C13H12N2S.Pd/c2*1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-10+;
InChIKeyTYVXZJIDOMJFOE-ZQSWXEMLSA-L
XLogP6.25
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.04
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891
N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
CID 10100620
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)?
The IUPAC name of palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate) (CID 10650522) is palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate).
What is the SMILES notation for palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)?
The canonical SMILES for palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate) is C/C(=N\c1ccccc1[S-])c1ccccn1.C/C(=N\c1ccccc1[S-])c1ccccn1.[Pd+2].
What is the InChIKey of palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)?
The InChIKey is TYVXZJIDOMJFOE-ZQSWXEMLSA-L. The full InChI is InChI=1S/2C13H12N2S.Pd/c2*1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-10+;.
What are the key properties of palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)?
palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate) has a molecular weight of 561.04 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate) is sourced from PubChem (CID 10650522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).