tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane

C15H33O9PS — CID 19046899

About tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane

tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane (PubChem CID 19046899) has the molecular formula C15H33O9PS and a molecular weight of 420.46 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane
• PubChem CID: 19046899
• Molecular Formula: C15H33O9PS
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.16
• IUPAC Name: tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane
• SMILES: COCCOCCOP(=S)(OCCOCCOC)OCCOCCOC
• InChI: InChI=1S/C15H33O9PS/c1-16-4-7-19-10-13-22-25(26,23-14-11-20-8-5-17-2)24-15-12-21-9-6-18-3/h4-15H2,1-3H3
• InChIKey: RCADWWMKMOVQCX-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 83.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane?

The IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane (CID 19046899) is tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane.

What is the SMILES notation for tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane?

The canonical SMILES for tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane is COCCOCCOP(=S)(OCCOCCOC)OCCOCCOC.

What is the InChIKey of tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane?

The InChIKey is RCADWWMKMOVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O9PS/c1-16-4-7-19-10-13-22-25(26,23-14-11-20-8-5-17-2)24-15-12-21-9-6-18-3/h4-15H2,1-3H3.

What are the key properties of tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane?

tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 420.46 g/mol, XLogP of 1.25, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 19046899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).