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

C16H36O4P2S4Zn — CID 12504431

IUPACzinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Zn+2]
InChIInChI=1S/2C8H19O2PS2.Zn/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
InChIKeyCFGBPGNQMWYJPH-UHFFFAOYSA-L
MW548.07 g/mol
LogP6.20
Rot. Bonds12

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

zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) (PubChem CID 12504431) has the molecular formula C16H36O4P2S4Zn and a molecular weight of 548.07 g/mol. Its IUPAC name is zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
PubChem CID12504431
Molecular FormulaC16H36O4P2S4Zn
Molecular Weight548.07 g/mol
Exact Mass546.03
IUPAC Namezinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Zn+2]
InChIInChI=1S/2C8H19O2PS2.Zn/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
InChIKeyCFGBPGNQMWYJPH-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 ≤ 500548.07
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 86195651
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc
CID 160768800
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
potassium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18941
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675

Frequently Asked Questions

What is the IUPAC name of zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The IUPAC name of zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) (CID 12504431) is zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane).
What is the SMILES notation for zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The canonical SMILES for zinc 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.[Zn+2].
What is the InChIKey of zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
The InChIKey is CFGBPGNQMWYJPH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19O2PS2.Zn/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 zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)?
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) has a molecular weight of 548.07 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 zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane) is sourced from PubChem (CID 12504431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).