copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane

C13H15CuN5OS2 — CID 153455625

IUPACcopper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane
SMILESCCO/C([S-])=N/N=C(/C=N/N=C(\[S-])NC)c1ccccc1.[Cu+2]
InChIInChI=1S/C13H17N5OS2.Cu/c1-3-19-13(21)18-16-11(9-15-17-12(20)14-2)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3,(H,18,21)(H2,14,17,20);/q;+2/p-2/b15-9+,16-11-;
InChIKeyAONYRWHJEBABHE-RESUSKOASA-L
MW384.98 g/mol
LogP1.44
Rot. Bonds5

About copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane

copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane (PubChem CID 153455625) has the molecular formula C13H15CuN5OS2 and a molecular weight of 384.98 g/mol. Its IUPAC name is copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane.

Molecular Properties

Compound Namecopper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane
PubChem CID153455625
Molecular FormulaC13H15CuN5OS2
Molecular Weight384.98 g/mol
Exact Mass384.00
IUPAC Namecopper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane
SMILESCCO/C([S-])=N/N=C(/C=N/N=C(\[S-])NC)c1ccccc1.[Cu+2]
InChIInChI=1S/C13H17N5OS2.Cu/c1-3-19-13(21)18-16-11(9-15-17-12(20)14-2)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3,(H,18,21)(H2,14,17,20);/q;+2/p-2/b15-9+,16-11-;
InChIKeyAONYRWHJEBABHE-RESUSKOASA-L
XLogP1.44
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

copper N-methyl-N'-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]amino]carbamimidothioate
CID 142539464
copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane
CID 153455621
(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)
CID 153455618
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
copper N'-[[1-(4-hydroxyphenyl)-2-[[methylamino(sulfido)methylidene]hydrazinylidene]-2-phenylethylidene]amino]-N-methylcarbamimidothioate
CID 162159955
O-ethyl N-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-2-phenylethylidene]amino]carbamothioate
CID 146412293
copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]-1-(4-chlorophenyl)-2-phenylethylidene]amino]-N-methylcarbamimidothioate
CID 142539232
copper;N-methyl-N'-[[1-(4-methylphenyl)-2-phenyl-2-[[sulfido-(triphenylphosphaniumylmethylamino)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate;bromide
CID 158153574
copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]-2-phenyl-1-[4-(2,2,2-trifluoroethyl)phenyl]ethylidene]amino]-N-methylcarbamimidothioate
CID 142539202
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
ethyl (Z)-2-cyano-3-(methylamino)-3-phenylprop-2-enoate
CID 10823341
ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
CID 101035692

Frequently Asked Questions

What is the IUPAC name of copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane?
The IUPAC name of copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane (CID 153455625) is copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane.
What is the SMILES notation for copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane?
The canonical SMILES for copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane is CCO/C([S-])=N/N=C(/C=N/N=C(\[S-])NC)c1ccccc1.[Cu+2].
What is the InChIKey of copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane?
The InChIKey is AONYRWHJEBABHE-RESUSKOASA-L. The full InChI is InChI=1S/C13H17N5OS2.Cu/c1-3-19-13(21)18-16-11(9-15-17-12(20)14-2)10-7-5-4-6-8-10;/h4-9H,3H2,1-2H3,(H,18,21)(H2,14,17,20);/q;+2/p-2/b15-9+,16-11-;.
What are the key properties of copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane?
copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane has a molecular weight of 384.98 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane is sourced from PubChem (CID 153455625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).