zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane

C12H10O3PSZn+ — CID 18762383

IUPACzinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
SMILES[O-]P(=S)(Oc1ccccc1)Oc1ccccc1.[Zn+2]
InChIInChI=1S/C12H11O3PS.Zn/c13-16(17,14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;/h1-10H,(H,13,17);/q;+2/p-1
InChIKeyHSTHHBRIEKGBTR-UHFFFAOYSA-M
MW330.64 g/mol
LogP2.73
Rot. Bonds4

About zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane

zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane (PubChem CID 18762383) has the molecular formula C12H10O3PSZn+ and a molecular weight of 330.64 g/mol. Its IUPAC name is zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namezinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
PubChem CID18762383
Molecular FormulaC12H10O3PSZn+
Molecular Weight330.64 g/mol
Exact Mass328.94
IUPAC Namezinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
SMILES[O-]P(=S)(Oc1ccccc1)Oc1ccccc1.[Zn+2]
InChIInChI=1S/C12H11O3PS.Zn/c13-16(17,14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;/h1-10H,(H,13,17);/q;+2/p-1
InChIKeyHSTHHBRIEKGBTR-UHFFFAOYSA-M
XLogP2.73
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 52.73
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

disodium;phenyl phosphate
CID 2724225
diphenoxy-sulfanylidene-sulfido-λ5-phosphane
CID 3553797
tetrasodium phenyl phosphate
CID 172856118
cesium diphenyl phosphate
CID 23664598
potassium diphenyl phosphate
CID 23671717
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
zinc ethyl(phenoxy)phosphinate
CID 118975861
chloro(phenoxy)phosphinate
CID 71354399
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
phenoxy-phenyl-silyl-sulfanylidene-λ5-phosphane
CID 174962173
cesium phenyl hydrogen phosphate
CID 175568082

Frequently Asked Questions

What is the IUPAC name of zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane (CID 18762383) is zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane is [O-]P(=S)(Oc1ccccc1)Oc1ccccc1.[Zn+2].
What is the InChIKey of zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is HSTHHBRIEKGBTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O3PS.Zn/c13-16(17,14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;/h1-10H,(H,13,17);/q;+2/p-1.
What are the key properties of zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane?
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 330.64 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 18762383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).