bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)

C20H20Cl2N4O2PdS2 — CID 11678747

IUPACbis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)
SMILESCN(C)/C([S-])=N/C(=O)c1ccccc1Cl.CN(C)/C([S-])=N\C(=O)c1ccccc1Cl.[Pd+2]
InChIInChI=1S/2C10H11ClN2OS.Pd/c2*1-13(2)10(15)12-9(14)7-5-3-4-6-8(7)11;/h2*3-6H,1-2H3,(H,12,14,15);/q;;+2/p-2
InChIKeyOLICGMKHODVDOH-UHFFFAOYSA-L
MW589.87 g/mol
LogP3.89
Rot. Bonds2

About bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)

bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+) (PubChem CID 11678747) has the molecular formula C20H20Cl2N4O2PdS2 and a molecular weight of 589.87 g/mol. Its IUPAC name is bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+).

Molecular Properties

Compound Namebis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)
PubChem CID11678747
Molecular FormulaC20H20Cl2N4O2PdS2
Molecular Weight589.87 g/mol
Exact Mass587.94
IUPAC Namebis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)
SMILESCN(C)/C([S-])=N/C(=O)c1ccccc1Cl.CN(C)/C([S-])=N\C(=O)c1ccccc1Cl.[Pd+2]
InChIInChI=1S/2C10H11ClN2OS.Pd/c2*1-13(2)10(15)12-9(14)7-5-3-4-6-8(7)11;/h2*3-6H,1-2H3,(H,12,14,15);/q;;+2/p-2
InChIKeyOLICGMKHODVDOH-UHFFFAOYSA-L
XLogP3.89
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.87
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)?
The IUPAC name of bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+) (CID 11678747) is bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+).
What is the SMILES notation for bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)?
The canonical SMILES for bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+) is CN(C)/C([S-])=N/C(=O)c1ccccc1Cl.CN(C)/C([S-])=N\C(=O)c1ccccc1Cl.[Pd+2].
What is the InChIKey of bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)?
The InChIKey is OLICGMKHODVDOH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H11ClN2OS.Pd/c2*1-13(2)10(15)12-9(14)7-5-3-4-6-8(7)11;/h2*3-6H,1-2H3,(H,12,14,15);/q;;+2/p-2.
What are the key properties of bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)?
bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+) has a molecular weight of 589.87 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+) is sourced from PubChem (CID 11678747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).