zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)

C22H48O4P2S4Zn — CID 162084405

IUPACzinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCCCCCCCCOP([O-])(=S)SCCC.CCCCCCCCOP([O-])(=S)SCCC.[Zn+2]
InChIInChI=1S/2C11H25O2PS2.Zn/c2*1-3-5-6-7-8-9-10-13-14(12,15)16-11-4-2;/h2*3-11H2,1-2H3,(H,12,15);/q;;+2/p-2
InChIKeyZCTOTYUGZQTZNK-UHFFFAOYSA-L
MW632.23 g/mol
LogP8.18
Rot. Bonds22

About zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)

zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) (PubChem CID 162084405) has the molecular formula C22H48O4P2S4Zn and a molecular weight of 632.23 g/mol. Its IUPAC name is zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
PubChem CID162084405
Molecular FormulaC22H48O4P2S4Zn
Molecular Weight632.23 g/mol
Exact Mass630.12
IUPAC Namezinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCCCCCCCCOP([O-])(=S)SCCC.CCCCCCCCOP([O-])(=S)SCCC.[Zn+2]
InChIInChI=1S/2C11H25O2PS2.Zn/c2*1-3-5-6-7-8-9-10-13-14(12,15)16-11-4-2;/h2*3-11H2,1-2H3,(H,12,15);/q;;+2/p-2
InChIKeyZCTOTYUGZQTZNK-UHFFFAOYSA-L
XLogP8.18
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.23
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane
CID 157333832
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
zinc bis(dinonyl phosphate)
CID 87237924
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233

Frequently Asked Questions

What is the IUPAC name of zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The IUPAC name of zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) (CID 162084405) is zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane).
What is the SMILES notation for zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The canonical SMILES for zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) is CCCCCCCCOP([O-])(=S)SCCC.CCCCCCCCOP([O-])(=S)SCCC.[Zn+2].
What is the InChIKey of zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The InChIKey is ZCTOTYUGZQTZNK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H25O2PS2.Zn/c2*1-3-5-6-7-8-9-10-13-14(12,15)16-11-4-2;/h2*3-11H2,1-2H3,(H,12,15);/q;;+2/p-2.
What are the key properties of zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)?
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) has a molecular weight of 632.23 g/mol, XLogP of 8.18, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane) is sourced from PubChem (CID 162084405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).