ethoxy-oxo-thiophen-2-ylphosphanium

C6H8O2PS+ — CID 59585314

IUPACethoxy-oxo-thiophen-2-ylphosphanium
SMILESCCO[P+](=O)c1cccs1
InChIInChI=1S/C6H8O2PS/c1-2-8-9(7)6-4-3-5-10-6/h3-5H,2H2,1H3/q+1
InChIKeyYEMXSTVDNIBMJW-UHFFFAOYSA-N
MW175.17 g/mol
LogP2.15
Rot. Bonds3

About ethoxy-oxo-thiophen-2-ylphosphanium

ethoxy-oxo-thiophen-2-ylphosphanium (PubChem CID 59585314) has the molecular formula C6H8O2PS+ and a molecular weight of 175.17 g/mol. Its IUPAC name is ethoxy-oxo-thiophen-2-ylphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-thiophen-2-ylphosphanium
PubChem CID59585314
Molecular FormulaC6H8O2PS+
Molecular Weight175.17 g/mol
Exact Mass175.00
IUPAC Nameethoxy-oxo-thiophen-2-ylphosphanium
SMILESCCO[P+](=O)c1cccs1
InChIInChI=1S/C6H8O2PS/c1-2-8-9(7)6-4-3-5-10-6/h3-5H,2H2,1H3/q+1
InChIKeyYEMXSTVDNIBMJW-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 52.15
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-thiophen-2-ylphosphanium?
The IUPAC name of ethoxy-oxo-thiophen-2-ylphosphanium (CID 59585314) is ethoxy-oxo-thiophen-2-ylphosphanium.
What is the SMILES notation for ethoxy-oxo-thiophen-2-ylphosphanium?
The canonical SMILES for ethoxy-oxo-thiophen-2-ylphosphanium is CCO[P+](=O)c1cccs1.
What is the InChIKey of ethoxy-oxo-thiophen-2-ylphosphanium?
The InChIKey is YEMXSTVDNIBMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2PS/c1-2-8-9(7)6-4-3-5-10-6/h3-5H,2H2,1H3/q+1.
What are the key properties of ethoxy-oxo-thiophen-2-ylphosphanium?
ethoxy-oxo-thiophen-2-ylphosphanium has a molecular weight of 175.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-thiophen-2-ylphosphanium is sourced from PubChem (CID 59585314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).