tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane

C24H57O3PS4Si3 — CID 123911461

IUPACtris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCO[SiH2]CCCSP(=S)(SCCC[SiH2]OCCCCC)SCCC[SiH2]OCCCCC
InChIInChI=1S/C24H57O3PS4Si3/c1-4-7-10-16-25-33-22-13-19-30-28(29,31-20-14-23-34-26-17-11-8-5-2)32-21-15-24-35-27-18-12-9-6-3/h4-24,33-35H2,1-3H3
InChIKeyFHXLENXLWBFAKI-UHFFFAOYSA-N
MW637.22 g/mol
LogP7.71
Rot. Bonds30

About tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane

tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 123911461) has the molecular formula C24H57O3PS4Si3 and a molecular weight of 637.22 g/mol. Its IUPAC name is tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID123911461
Molecular FormulaC24H57O3PS4Si3
Molecular Weight637.22 g/mol
Exact Mass636.22
IUPAC Nametris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCO[SiH2]CCCSP(=S)(SCCC[SiH2]OCCCCC)SCCC[SiH2]OCCCCC
InChIInChI=1S/C24H57O3PS4Si3/c1-4-7-10-16-25-33-22-13-19-30-28(29,31-20-14-23-34-26-17-11-8-5-2)32-21-15-24-35-27-18-12-9-6-3/h4-24,33-35H2,1-3H3
InChIKeyFHXLENXLWBFAKI-UHFFFAOYSA-N
XLogP7.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.22
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
CID 159645445
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944

Frequently Asked Questions

What is the IUPAC name of tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane (CID 123911461) is tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane is CCCCCO[SiH2]CCCSP(=S)(SCCC[SiH2]OCCCCC)SCCC[SiH2]OCCCCC.
What is the InChIKey of tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is FHXLENXLWBFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57O3PS4Si3/c1-4-7-10-16-25-33-22-13-19-30-28(29,31-20-14-23-34-26-17-11-8-5-2)32-21-15-24-35-27-18-12-9-6-3/h4-24,33-35H2,1-3H3.
What are the key properties of tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 637.22 g/mol, XLogP of 7.71, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 123911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).