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

C8H18NaO2PS2 — CID 23688597

IUPACsodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCC(C)COP(=S)([S-])OCC(C)C.[Na+]
InChIInChI=1S/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyFOYPFIDVYRCZKA-UHFFFAOYSA-M
MW264.33 g/mol
LogP0.11
Rot. Bonds6

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

sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 23688597) has the molecular formula C8H18NaO2PS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namesodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
PubChem CID23688597
Molecular FormulaC8H18NaO2PS2
Molecular Weight264.33 g/mol
Exact Mass264.04
IUPAC Namesodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCC(C)COP(=S)([S-])OCC(C)C.[Na+]
InChIInChI=1S/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyFOYPFIDVYRCZKA-UHFFFAOYSA-M
XLogP0.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane (CID 23688597) is sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane is CC(C)COP(=S)([S-])OCC(C)C.[Na+].
What is the InChIKey of sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is FOYPFIDVYRCZKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 264.33 g/mol, XLogP of 0.11, 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)-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 23688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).