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

C14H17CuN5OS2 — CID 153455621

IUPACcopper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane
SMILESCCO/C([S-])=N/N=C(/C=N/N=C(\[S-])N(C)C)c1ccccc1.[Cu+2]
InChIInChI=1S/C14H19N5OS2.Cu/c1-4-20-14(22)18-16-12(11-8-6-5-7-9-11)10-15-17-13(21)19(2)3;/h5-10H,4H2,1-3H3,(H,17,21)(H,18,22);/q;+2/p-2/b15-10+,16-12-;
InChIKeyWJGVMYKBALGERU-CABKONKMSA-L
MW399.00 g/mol
LogP1.78
Rot. Bonds5

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

copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane (PubChem CID 153455621) has the molecular formula C14H17CuN5OS2 and a molecular weight of 399.00 g/mol. Its IUPAC name is copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane.

Molecular Properties

Compound Namecopper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane
PubChem CID153455621
Molecular FormulaC14H17CuN5OS2
Molecular Weight399.00 g/mol
Exact Mass398.02
IUPAC Namecopper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane
SMILESCCO/C([S-])=N/N=C(/C=N/N=C(\[S-])N(C)C)c1ccccc1.[Cu+2]
InChIInChI=1S/C14H19N5OS2.Cu/c1-4-20-14(22)18-16-12(11-8-6-5-7-9-11)10-15-17-13(21)19(2)3;/h5-10H,4H2,1-3H3,(H,17,21)(H,18,22);/q;+2/p-2/b15-10+,16-12-;
InChIKeyWJGVMYKBALGERU-CABKONKMSA-L
XLogP1.78
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.00
LogP ≤ 51.78
H-Bond Donors ≤ 50
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 (Z)-ethoxy-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-sulfidomethane
CID 153455625
ethyl (Z)-N-(dimethylcarbamothioyl)benzenecarboximidate
CID 15783640
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
ethyl (E)-3-[bis(dimethylamino)methylideneamino]-3-phenylprop-2-enoate
CID 135034117
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135529798
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
[(1E)-1-ethoxy-3-methylbuta-1,3-dienyl]benzene
CID 10559531
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
CID 158970570
CID 158970570
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474

Frequently Asked Questions

What is the IUPAC name of copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane?
The IUPAC name of copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane (CID 153455621) is copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane.
What is the SMILES notation for copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane?
The canonical SMILES for copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane is CCO/C([S-])=N/N=C(/C=N/N=C(\[S-])N(C)C)c1ccccc1.[Cu+2].
What is the InChIKey of copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane?
The InChIKey is WJGVMYKBALGERU-CABKONKMSA-L. The full InChI is InChI=1S/C14H19N5OS2.Cu/c1-4-20-14(22)18-16-12(11-8-6-5-7-9-11)10-15-17-13(21)19(2)3;/h5-10H,4H2,1-3H3,(H,17,21)(H,18,22);/q;+2/p-2/b15-10+,16-12-;.
What are the key properties of copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane?
copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane has a molecular weight of 399.00 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-[(E)-[(2E)-2-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]hydrazinylidene]-ethoxy-sulfidomethane is sourced from PubChem (CID 153455621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).