2-diethoxyphosphorylthiophene

C8H13O3PS — CID 4254391

IUPAC2-diethoxyphosphorylthiophene
SMILESCCOP(=O)(OCC)c1cccs1
InChIInChI=1S/C8H13O3PS/c1-3-10-12(9,11-4-2)8-6-5-7-13-8/h5-7H,3-4H2,1-2H3
InChIKeyLQEHOELXZUEVPK-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.64
Rot. Bonds5

About 2-diethoxyphosphorylthiophene

2-diethoxyphosphorylthiophene (PubChem CID 4254391) has the molecular formula C8H13O3PS and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-diethoxyphosphorylthiophene.

Molecular Properties

Compound Name2-diethoxyphosphorylthiophene
PubChem CID4254391
Molecular FormulaC8H13O3PS
Molecular Weight220.23 g/mol
Exact Mass220.03
IUPAC Name2-diethoxyphosphorylthiophene
SMILESCCOP(=O)(OCC)c1cccs1
InChIInChI=1S/C8H13O3PS/c1-3-10-12(9,11-4-2)8-6-5-7-13-8/h5-7H,3-4H2,1-2H3
InChIKeyLQEHOELXZUEVPK-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.64
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 2-diethoxyphosphorylthiophene?
The IUPAC name of 2-diethoxyphosphorylthiophene (CID 4254391) is 2-diethoxyphosphorylthiophene.
What is the SMILES notation for 2-diethoxyphosphorylthiophene?
The canonical SMILES for 2-diethoxyphosphorylthiophene is CCOP(=O)(OCC)c1cccs1.
What is the InChIKey of 2-diethoxyphosphorylthiophene?
The InChIKey is LQEHOELXZUEVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3PS/c1-3-10-12(9,11-4-2)8-6-5-7-13-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylthiophene?
2-diethoxyphosphorylthiophene has a molecular weight of 220.23 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylthiophene is sourced from PubChem (CID 4254391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).