bis(methyl N-(propylideneamino)carbamodithioate);palladium

C10H20N4PdS4 — CID 50910049

IUPACbis(methyl N-(propylideneamino)carbamodithioate);palladium
SMILESCCC=NNC(=S)SC.CCC=NNC(=S)SC.[Pd]
InChIInChI=1S/2C5H10N2S2.Pd/c2*1-3-4-6-7-5(8)9-2;/h2*4H,3H2,1-2H3,(H,7,8);
InChIKeyPHVFSJGZYKUGAI-UHFFFAOYSA-N
MW430.99 g/mol
LogP3.24
Rot. Bonds4

About bis(methyl N-(propylideneamino)carbamodithioate);palladium

bis(methyl N-(propylideneamino)carbamodithioate);palladium (PubChem CID 50910049) has the molecular formula C10H20N4PdS4 and a molecular weight of 430.99 g/mol. Its IUPAC name is bis(methyl N-(propylideneamino)carbamodithioate);palladium.

Molecular Properties

Compound Namebis(methyl N-(propylideneamino)carbamodithioate);palladium
PubChem CID50910049
Molecular FormulaC10H20N4PdS4
Molecular Weight430.99 g/mol
Exact Mass429.96
IUPAC Namebis(methyl N-(propylideneamino)carbamodithioate);palladium
SMILESCCC=NNC(=S)SC.CCC=NNC(=S)SC.[Pd]
InChIInChI=1S/2C5H10N2S2.Pd/c2*1-3-4-6-7-5(8)9-2;/h2*4H,3H2,1-2H3,(H,7,8);
InChIKeyPHVFSJGZYKUGAI-UHFFFAOYSA-N
XLogP3.24
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.99
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of bis(methyl N-(propylideneamino)carbamodithioate);palladium?
The IUPAC name of bis(methyl N-(propylideneamino)carbamodithioate);palladium (CID 50910049) is bis(methyl N-(propylideneamino)carbamodithioate);palladium.
What is the SMILES notation for bis(methyl N-(propylideneamino)carbamodithioate);palladium?
The canonical SMILES for bis(methyl N-(propylideneamino)carbamodithioate);palladium is CCC=NNC(=S)SC.CCC=NNC(=S)SC.[Pd].
What is the InChIKey of bis(methyl N-(propylideneamino)carbamodithioate);palladium?
The InChIKey is PHVFSJGZYKUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N2S2.Pd/c2*1-3-4-6-7-5(8)9-2;/h2*4H,3H2,1-2H3,(H,7,8);.
What are the key properties of bis(methyl N-(propylideneamino)carbamodithioate);palladium?
bis(methyl N-(propylideneamino)carbamodithioate);palladium has a molecular weight of 430.99 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl N-(propylideneamino)carbamodithioate);palladium is sourced from PubChem (CID 50910049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).