ethoxy-oxo-propylsulfanylphosphanium

C5H12O2PS+ — CID 20691922

IUPACethoxy-oxo-propylsulfanylphosphanium
SMILESCCCS[P+](=O)OCC
InChIInChI=1S/C5H12O2PS/c1-3-5-9-8(6)7-4-2/h3-5H2,1-2H3/q+1
InChIKeyRZJACFQGVWCUKL-UHFFFAOYSA-N
MW167.19 g/mol
LogP2.82
Rot. Bonds5

About ethoxy-oxo-propylsulfanylphosphanium

ethoxy-oxo-propylsulfanylphosphanium (PubChem CID 20691922) has the molecular formula C5H12O2PS+ and a molecular weight of 167.19 g/mol. Its IUPAC name is ethoxy-oxo-propylsulfanylphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-propylsulfanylphosphanium
PubChem CID20691922
Molecular FormulaC5H12O2PS+
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Nameethoxy-oxo-propylsulfanylphosphanium
SMILESCCCS[P+](=O)OCC
InChIInChI=1S/C5H12O2PS/c1-3-5-9-8(6)7-4-2/h3-5H2,1-2H3/q+1
InChIKeyRZJACFQGVWCUKL-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-propylsulfanylphosphanium?
The IUPAC name of ethoxy-oxo-propylsulfanylphosphanium (CID 20691922) is ethoxy-oxo-propylsulfanylphosphanium.
What is the SMILES notation for ethoxy-oxo-propylsulfanylphosphanium?
The canonical SMILES for ethoxy-oxo-propylsulfanylphosphanium is CCCS[P+](=O)OCC.
What is the InChIKey of ethoxy-oxo-propylsulfanylphosphanium?
The InChIKey is RZJACFQGVWCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2PS/c1-3-5-9-8(6)7-4-2/h3-5H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-propylsulfanylphosphanium?
ethoxy-oxo-propylsulfanylphosphanium has a molecular weight of 167.19 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-propylsulfanylphosphanium is sourced from PubChem (CID 20691922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).