zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane

C6H5O2PS2Zn — CID 141038117

IUPACzinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)Sc1ccccc1.[Zn+2]
InChIInChI=1S/C6H7O2PS2.Zn/c7-9(8,10)11-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,10);/q;+2/p-2
InChIKeyGGUIROKIHKKJKU-UHFFFAOYSA-L
MW269.60 g/mol
LogP0.72
Rot. Bonds2

About zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane

zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 141038117) has the molecular formula C6H5O2PS2Zn and a molecular weight of 269.60 g/mol. Its IUPAC name is zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID141038117
Molecular FormulaC6H5O2PS2Zn
Molecular Weight269.60 g/mol
Exact Mass267.88
IUPAC Namezinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)Sc1ccccc1.[Zn+2]
InChIInChI=1S/C6H7O2PS2.Zn/c7-9(8,10)11-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,10);/q;+2/p-2
InChIKeyGGUIROKIHKKJKU-UHFFFAOYSA-L
XLogP0.72
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 50.72
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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Related Compounds

disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane
CID 87476152
trizinc;sulfidosulfanylbenzene;phosphate
CID 159774955
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
difluorophosphorylsulfanylbenzene
CID 23416246
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
phenylsulfanylazanium;phosphate
CID 159130947
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;phenylmethylbenzene
CID 174963714
zinc;diheptoxy-phenylsulfanyl-sulfanylidene-λ5-phosphane;sulfide
CID 87462018
calcium sulfenatobenzene
CID 172805620
CID 136778014
CID 136778014
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane (CID 141038117) is zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane is [O-]P([O-])(=S)Sc1ccccc1.[Zn+2].
What is the InChIKey of zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is GGUIROKIHKKJKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7O2PS2.Zn/c7-9(8,10)11-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,10);/q;+2/p-2.
What are the key properties of zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane?
zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 269.60 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc dioxido-phenylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141038117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).