sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane

C4H10NaO2PS2 — CID 23719525

IUPACsodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCC.[Na+]
InChIInChI=1S/C4H11O2PS2.Na/c1-3-6-7(5,8)9-4-2;/h3-4H2,1-2H3,(H,5,8);/q;+1/p-1
InChIKeyYWUOZTWCMHLQJI-UHFFFAOYSA-M
MW208.22 g/mol
LogP-1.64
Rot. Bonds4

About sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane

sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23719525) has the molecular formula C4H10NaO2PS2 and a molecular weight of 208.22 g/mol. Its IUPAC name is sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID23719525
Molecular FormulaC4H10NaO2PS2
Molecular Weight208.22 g/mol
Exact Mass207.98
IUPAC Namesodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCC.[Na+]
InChIInChI=1S/C4H11O2PS2.Na/c1-3-6-7(5,8)9-4-2;/h3-4H2,1-2H3,(H,5,8);/q;+1/p-1
InChIKeyYWUOZTWCMHLQJI-UHFFFAOYSA-M
XLogP-1.64
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane (CID 23719525) is sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane is CCOP([O-])(=S)SCC.[Na+].
What is the InChIKey of sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is YWUOZTWCMHLQJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O2PS2.Na/c1-3-6-7(5,8)9-4-2;/h3-4H2,1-2H3,(H,5,8);/q;+1/p-1.
What are the key properties of sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 208.22 g/mol, XLogP of -1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23719525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).