copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)

C12H36CuN4O4P2S4 — CID 139058474

IUPACcopper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)
SMILESCCOP(=S)([S-])OCC.CCOP(=S)([S-])OCC.NCCN.NCCN.[Cu+2]
InChIInChI=1S/2C4H11O2PS2.2C2H8N2.Cu/c2*1-3-5-7(8,9)6-4-2;2*3-1-2-4;/h2*3-4H2,1-2H3,(H,8,9);2*1-4H2;/q;;;;+2/p-2
InChIKeySIDUUNSYANQHLS-UHFFFAOYSA-L
MW554.21 g/mol
LogP1.47
Rot. Bonds10

About copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)

copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine) (PubChem CID 139058474) has the molecular formula C12H36CuN4O4P2S4 and a molecular weight of 554.21 g/mol. Its IUPAC name is copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine).

Molecular Properties

Compound Namecopper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)
PubChem CID139058474
Molecular FormulaC12H36CuN4O4P2S4
Molecular Weight554.21 g/mol
Exact Mass553.04
IUPAC Namecopper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)
SMILESCCOP(=S)([S-])OCC.CCOP(=S)([S-])OCC.NCCN.NCCN.[Cu+2]
InChIInChI=1S/2C4H11O2PS2.2C2H8N2.Cu/c2*1-3-5-7(8,9)6-4-2;2*3-1-2-4;/h2*3-4H2,1-2H3,(H,8,9);2*1-4H2;/q;;;;+2/p-2
InChIKeySIDUUNSYANQHLS-UHFFFAOYSA-L
XLogP1.47
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.21
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)?
The IUPAC name of copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine) (CID 139058474) is copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine).
What is the SMILES notation for copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)?
The canonical SMILES for copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine) is CCOP(=S)([S-])OCC.CCOP(=S)([S-])OCC.NCCN.NCCN.[Cu+2].
What is the InChIKey of copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)?
The InChIKey is SIDUUNSYANQHLS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H11O2PS2.2C2H8N2.Cu/c2*1-3-5-7(8,9)6-4-2;2*3-1-2-4;/h2*3-4H2,1-2H3,(H,8,9);2*1-4H2;/q;;;;+2/p-2.
What are the key properties of copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine)?
copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine) has a molecular weight of 554.21 g/mol, XLogP of 1.47, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);bis(ethane-1,2-diamine) is sourced from PubChem (CID 139058474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).