hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc

C18H39O2PS2Zn — CID 87073286

IUPAChydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCCOP(O)(=S)SCCCCCCCCC.[Zn]
InChIInChI=1S/C18H39O2PS2.Zn/c1-3-5-7-9-11-13-15-17-20-21(19,22)23-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3,(H,19,22);
InChIKeyWIFLLXVRPMLFMZ-UHFFFAOYSA-N
MW448.01 g/mol
LogP7.45
Rot. Bonds18

About hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc

hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 87073286) has the molecular formula C18H39O2PS2Zn and a molecular weight of 448.01 g/mol. Its IUPAC name is hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namehydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID87073286
Molecular FormulaC18H39O2PS2Zn
Molecular Weight448.01 g/mol
Exact Mass446.14
IUPAC Namehydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCCOP(O)(=S)SCCCCCCCCC.[Zn]
InChIInChI=1S/C18H39O2PS2.Zn/c1-3-5-7-9-11-13-15-17-20-21(19,22)23-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3,(H,19,22);
InChIKeyWIFLLXVRPMLFMZ-UHFFFAOYSA-N
XLogP7.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc 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

hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
CID 141192629
CID 141192629
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866

Frequently Asked Questions

What is the IUPAC name of hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 87073286) is hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc is CCCCCCCCCOP(O)(=S)SCCCCCCCCC.[Zn].
What is the InChIKey of hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is WIFLLXVRPMLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O2PS2.Zn/c1-3-5-7-9-11-13-15-17-20-21(19,22)23-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3,(H,19,22);.
What are the key properties of hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 448.01 g/mol, XLogP of 7.45, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 87073286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).