copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate

C4H6CuN6S2 — CID 10611763

IUPACcopper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate
SMILESN/C([S-])=N/N=C\C=N/N=C(/N)[S-].[Cu+2]
InChIInChI=1S/C4H8N6S2.Cu/c5-3(11)9-7-1-2-8-10-4(6)12;/h1-2H,(H3,5,9,11)(H3,6,10,12);/q;+2/p-2/b7-1-,8-2-;
InChIKeyWZRYDWHATXAWCG-GQYGMTNLSA-L
MW265.81 g/mol
LogP-1.32
Rot. Bonds3

About copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate

copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate (PubChem CID 10611763) has the molecular formula C4H6CuN6S2 and a molecular weight of 265.81 g/mol. Its IUPAC name is copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate.

Molecular Properties

Compound Namecopper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate
PubChem CID10611763
Molecular FormulaC4H6CuN6S2
Molecular Weight265.81 g/mol
Exact Mass264.94
IUPAC Namecopper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate
SMILESN/C([S-])=N/N=C\C=N/N=C(/N)[S-].[Cu+2]
InChIInChI=1S/C4H8N6S2.Cu/c5-3(11)9-7-1-2-8-10-4(6)12;/h1-2H,(H3,5,9,11)(H3,6,10,12);/q;+2/p-2/b7-1-,8-2-;
InChIKeyWZRYDWHATXAWCG-GQYGMTNLSA-L
XLogP-1.32
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 71500252
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2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine
CID 92524255
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copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]-2-phenyl-1-[4-(2,2,2-trifluoroethyl)phenyl]ethylidene]amino]-N-methylcarbamimidothioate
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Frequently Asked Questions

What is the IUPAC name of copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate?
The IUPAC name of copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate (CID 10611763) is copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate.
What is the SMILES notation for copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate?
The canonical SMILES for copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate is N/C([S-])=N/N=C\C=N/N=C(/N)[S-].[Cu+2].
What is the InChIKey of copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate?
The InChIKey is WZRYDWHATXAWCG-GQYGMTNLSA-L. The full InChI is InChI=1S/C4H8N6S2.Cu/c5-3(11)9-7-1-2-8-10-4(6)12;/h1-2H,(H3,5,9,11)(H3,6,10,12);/q;+2/p-2/b7-1-,8-2-;.
What are the key properties of copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate?
copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate has a molecular weight of 265.81 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper N'-[(E)-[(2E)-2-[(Z)-[amino(sulfido)methylidene]hydrazinylidene]ethylidene]amino]carbamimidothioate is sourced from PubChem (CID 10611763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).