2-methoxyethoxy-oxo-sulfanylphosphanium

C3H8O3PS+ — CID 162470830

IUPAC2-methoxyethoxy-oxo-sulfanylphosphanium
SMILESCOCCO[P+](=O)S
InChIInChI=1S/C3H7O3PS/c1-5-2-3-6-7(4)8/h2-3H2,1H3/p+1
InChIKeyPTCKFJFWBVTKBG-UHFFFAOYSA-O
MW155.13 g/mol
LogP1.24
Rot. Bonds4

About 2-methoxyethoxy-oxo-sulfanylphosphanium

2-methoxyethoxy-oxo-sulfanylphosphanium (PubChem CID 162470830) has the molecular formula C3H8O3PS+ and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-methoxyethoxy-oxo-sulfanylphosphanium.

Molecular Properties

Compound Name2-methoxyethoxy-oxo-sulfanylphosphanium
PubChem CID162470830
Molecular FormulaC3H8O3PS+
Molecular Weight155.13 g/mol
Exact Mass154.99
IUPAC Name2-methoxyethoxy-oxo-sulfanylphosphanium
SMILESCOCCO[P+](=O)S
InChIInChI=1S/C3H7O3PS/c1-5-2-3-6-7(4)8/h2-3H2,1H3/p+1
InChIKeyPTCKFJFWBVTKBG-UHFFFAOYSA-O
XLogP1.24
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxy-oxo-sulfanylphosphanium?
The IUPAC name of 2-methoxyethoxy-oxo-sulfanylphosphanium (CID 162470830) is 2-methoxyethoxy-oxo-sulfanylphosphanium.
What is the SMILES notation for 2-methoxyethoxy-oxo-sulfanylphosphanium?
The canonical SMILES for 2-methoxyethoxy-oxo-sulfanylphosphanium is COCCO[P+](=O)S.
What is the InChIKey of 2-methoxyethoxy-oxo-sulfanylphosphanium?
The InChIKey is PTCKFJFWBVTKBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O3PS/c1-5-2-3-6-7(4)8/h2-3H2,1H3/p+1.
What are the key properties of 2-methoxyethoxy-oxo-sulfanylphosphanium?
2-methoxyethoxy-oxo-sulfanylphosphanium has a molecular weight of 155.13 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxy-oxo-sulfanylphosphanium is sourced from PubChem (CID 162470830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).