copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate

C24H25CuF5N6S2 — CID 142539327

About copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate

copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate (PubChem CID 142539327) has the molecular formula C24H25CuF5N6S2 and a molecular weight of 620.18 g/mol. Its IUPAC name is copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate.

Molecular Properties

• Compound Name: copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
• PubChem CID: 142539327
• Molecular Formula: C24H25CuF5N6S2
• Molecular Weight: 620.18 g/mol
• Exact Mass: 619.08
• IUPAC Name: copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
• SMILES: CCN(CC)/C([S-])=N/N=C(C(=N/N=C(\[S-])N(CC)CC)/c1c(F)c(F)c(F)c(F)c1F)\c1ccccc1.[Cu+2]
• InChI: InChI=1S/C24H27F5N6S2.Cu/c1-5-34(6-2)23(36)32-30-21(14-12-10-9-11-13-14)22(31-33-24(37)35(7-3)8-4)15-16(25)18(27)20(29)19(28)17(15)26;/h9-13H,5-8H2,1-4H3,(H,32,36)(H,33,37);/q;+2/p-2/b30-21+,31-22+
• InChIKey: SDQUQAVSCMBMTK-GSIQQXGUSA-L
• XLogP: 4.98
• TPSA: 55.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.18
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?

The IUPAC name of copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate (CID 142539327) is copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate.

What is the SMILES notation for copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?

The canonical SMILES for copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate is CCN(CC)/C([S-])=N/N=C(C(=N/N=C(\[S-])N(CC)CC)/c1c(F)c(F)c(F)c(F)c1F)\c1ccccc1.[Cu+2].

What is the InChIKey of copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?

The InChIKey is SDQUQAVSCMBMTK-GSIQQXGUSA-L. The full InChI is InChI=1S/C24H27F5N6S2.Cu/c1-5-34(6-2)23(36)32-30-21(14-12-10-9-11-13-14)22(31-33-24(37)35(7-3)8-4)15-16(25)18(27)20(29)19(28)17(15)26;/h9-13H,5-8H2,1-4H3,(H,32,36)(H,33,37);/q;+2/p-2/b30-21+,31-22+;.

What are the key properties of copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate?

copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate has a molecular weight of 620.18 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate is sourced from PubChem (CID 142539327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).