bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium

C20H24N4PdS4 — CID 50912150

IUPACbis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
SMILESCSC(=S)NN=C(C)c1ccccc1.CSC(=S)NN=C(C)c1ccccc1.[Pd]
InChIInChI=1S/2C10H12N2S2.Pd/c2*1-8(11-12-10(13)14-2)9-6-4-3-5-7-9;/h2*3-7H,1-2H3,(H,12,13);
InChIKeyQCJMNVRVDLLZNT-UHFFFAOYSA-N
MW555.13 g/mol
LogP5.29
Rot. Bonds4

About bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium

bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium (PubChem CID 50912150) has the molecular formula C20H24N4PdS4 and a molecular weight of 555.13 g/mol. Its IUPAC name is bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium.

Molecular Properties

Compound Namebis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
PubChem CID50912150
Molecular FormulaC20H24N4PdS4
Molecular Weight555.13 g/mol
Exact Mass553.99
IUPAC Namebis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
SMILESCSC(=S)NN=C(C)c1ccccc1.CSC(=S)NN=C(C)c1ccccc1.[Pd]
InChIInChI=1S/2C10H12N2S2.Pd/c2*1-8(11-12-10(13)14-2)9-6-4-3-5-7-9;/h2*3-7H,1-2H3,(H,12,13);
InChIKeyQCJMNVRVDLLZNT-UHFFFAOYSA-N
XLogP5.29
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.13
LogP ≤ 55.29
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

cobalt;bis(methyl N-(benzhydrylideneamino)carbamodithioate)
CID 50910839
(1-phenylethylideneamino)thiourea
CID 912962
1-chloro-3-[(E)-1-phenylethylideneamino]thiourea
CID 119086903
methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
CID 4284798
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
CID 50911516
1,2,3-tris(1-phenylethylideneamino)guanidine
CID 5226187
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-[2,2-dimethyl-3-[[(E)-1-phenylethylideneamino]carbamothioylamino]propyl]-3-[(E)-1-phenylethylideneamino]thiourea
CID 13436345
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276

Frequently Asked Questions

What is the IUPAC name of bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium?
The IUPAC name of bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium (CID 50912150) is bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium.
What is the SMILES notation for bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium?
The canonical SMILES for bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium is CSC(=S)NN=C(C)c1ccccc1.CSC(=S)NN=C(C)c1ccccc1.[Pd].
What is the InChIKey of bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium?
The InChIKey is QCJMNVRVDLLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2S2.Pd/c2*1-8(11-12-10(13)14-2)9-6-4-3-5-7-9;/h2*3-7H,1-2H3,(H,12,13);.
What are the key properties of bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium?
bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium has a molecular weight of 555.13 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium is sourced from PubChem (CID 50912150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).