copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)

C16H36CuO4P2S4 — CID 87595607

IUPACcopper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Cu+2]
InChIInChI=1S/2C8H19O2PS2.Cu/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2
InChIKeyYPBWLSXBHDGNRB-UHFFFAOYSA-L
MW546.22 g/mol
LogP6.20
Rot. Bonds12

About copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)

copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) (PubChem CID 87595607) has the molecular formula C16H36CuO4P2S4 and a molecular weight of 546.22 g/mol. Its IUPAC name is copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane).

Molecular Properties

Compound Namecopper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
PubChem CID87595607
Molecular FormulaC16H36CuO4P2S4
Molecular Weight546.22 g/mol
Exact Mass545.03
IUPAC Namecopper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Cu+2]
InChIInChI=1S/2C8H19O2PS2.Cu/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2
InChIKeyYPBWLSXBHDGNRB-UHFFFAOYSA-L
XLogP6.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.22
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The IUPAC name of copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) (CID 87595607) is copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane).
What is the SMILES notation for copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The canonical SMILES for copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) is CC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Cu+2].
What is the InChIKey of copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The InChIKey is YPBWLSXBHDGNRB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19O2PS2.Cu/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2.
What are the key properties of copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) has a molecular weight of 546.22 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) is sourced from PubChem (CID 87595607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).