zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane

C4H9O3PSZn — CID 141227954

IUPACzinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C4H11O3PS.Zn/c1-4(2)3-7-8(5,6)9;/h4H,3H2,1-2H3,(H2,5,6,9);/q;+2/p-2
InChIKeyFXBQCQRAYNGNBL-UHFFFAOYSA-L
MW233.54 g/mol
LogP-0.40
Rot. Bonds3

About zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane

zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 141227954) has the molecular formula C4H9O3PSZn and a molecular weight of 233.54 g/mol. Its IUPAC name is zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
PubChem CID141227954
Molecular FormulaC4H9O3PSZn
Molecular Weight233.54 g/mol
Exact Mass231.93
IUPAC Namezinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C4H11O3PS.Zn/c1-4(2)3-7-8(5,6)9;/h4H,3H2,1-2H3,(H2,5,6,9);/q;+2/p-2
InChIKeyFXBQCQRAYNGNBL-UHFFFAOYSA-L
XLogP-0.40
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane (CID 141227954) is zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane is CC(C)COP([O-])([O-])=S.[Zn+2].
What is the InChIKey of zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is FXBQCQRAYNGNBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O3PS.Zn/c1-4(2)3-7-8(5,6)9;/h4H,3H2,1-2H3,(H2,5,6,9);/q;+2/p-2.
What are the key properties of zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 233.54 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141227954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).