sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

C8H18NaO3PS — CID 23681713

IUPACsodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])(=S)OCC(C)C.[Na+]
InChIInChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1
InChIKeyVVTVDXPOGQYVFX-UHFFFAOYSA-M
MW248.26 g/mol
LogP-1.08
Rot. Bonds6

About sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23681713) has the molecular formula C8H18NaO3PS and a molecular weight of 248.26 g/mol. Its IUPAC name is sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
PubChem CID23681713
Molecular FormulaC8H18NaO3PS
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Namesodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])(=S)OCC(C)C.[Na+]
InChIInChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1
InChIKeyVVTVDXPOGQYVFX-UHFFFAOYSA-M
XLogP-1.08
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium bis(2-methylpropoxy)-oxido-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

Frequently Asked Questions

What is the IUPAC name of sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (CID 23681713) is sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is CC(C)COP([O-])(=S)OCC(C)C.[Na+].
What is the InChIKey of sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is VVTVDXPOGQYVFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1.
What are the key properties of sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 248.26 g/mol, XLogP of -1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23681713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).