4-diethoxyphosphinothioyloxy-6-methylpyran-2-one

C10H15O5PS — CID 911675

IUPAC4-diethoxyphosphinothioyloxy-6-methylpyran-2-one
SMILESCCOP(=S)(OCC)Oc1cc(C)oc(=O)c1
InChIInChI=1S/C10H15O5PS/c1-4-12-16(17,13-5-2)15-9-6-8(3)14-10(11)7-9/h6-7H,4-5H2,1-3H3
InChIKeyOOVSNTUUUMJGOE-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.62
Rot. Bonds6

About 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one

4-diethoxyphosphinothioyloxy-6-methylpyran-2-one (PubChem CID 911675) has the molecular formula C10H15O5PS and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-diethoxyphosphinothioyloxy-6-methylpyran-2-one
PubChem CID911675
Molecular FormulaC10H15O5PS
Molecular Weight278.27 g/mol
Exact Mass278.04
IUPAC Name4-diethoxyphosphinothioyloxy-6-methylpyran-2-one
SMILESCCOP(=S)(OCC)Oc1cc(C)oc(=O)c1
InChIInChI=1S/C10H15O5PS/c1-4-12-16(17,13-5-2)15-9-6-8(3)14-10(11)7-9/h6-7H,4-5H2,1-3H3
InChIKeyOOVSNTUUUMJGOE-UHFFFAOYSA-N
XLogP2.62
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one?
The IUPAC name of 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one (CID 911675) is 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one.
What is the SMILES notation for 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one?
The canonical SMILES for 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one is CCOP(=S)(OCC)Oc1cc(C)oc(=O)c1.
What is the InChIKey of 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one?
The InChIKey is OOVSNTUUUMJGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O5PS/c1-4-12-16(17,13-5-2)15-9-6-8(3)14-10(11)7-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one?
4-diethoxyphosphinothioyloxy-6-methylpyran-2-one has a molecular weight of 278.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphinothioyloxy-6-methylpyran-2-one is sourced from PubChem (CID 911675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).