diethoxyphosphorylmethylsulfinylbenzene

C11H17O4PS — CID 10858739

IUPACdiethoxyphosphorylmethylsulfinylbenzene
SMILESCCOP(=O)(CS(=O)c1ccccc1)OCC
InChIInChI=1S/C11H17O4PS/c1-3-14-16(12,15-4-2)10-17(13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKJWHUVXWMFEIOL-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.02
Rot. Bonds7

About diethoxyphosphorylmethylsulfinylbenzene

diethoxyphosphorylmethylsulfinylbenzene (PubChem CID 10858739) has the molecular formula C11H17O4PS and a molecular weight of 276.29 g/mol. Its IUPAC name is diethoxyphosphorylmethylsulfinylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylmethylsulfinylbenzene
PubChem CID10858739
Molecular FormulaC11H17O4PS
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Namediethoxyphosphorylmethylsulfinylbenzene
SMILESCCOP(=O)(CS(=O)c1ccccc1)OCC
InChIInChI=1S/C11H17O4PS/c1-3-14-16(12,15-4-2)10-17(13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyKJWHUVXWMFEIOL-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.02
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 diethoxyphosphorylmethylsulfinylbenzene?
The IUPAC name of diethoxyphosphorylmethylsulfinylbenzene (CID 10858739) is diethoxyphosphorylmethylsulfinylbenzene.
What is the SMILES notation for diethoxyphosphorylmethylsulfinylbenzene?
The canonical SMILES for diethoxyphosphorylmethylsulfinylbenzene is CCOP(=O)(CS(=O)c1ccccc1)OCC.
What is the InChIKey of diethoxyphosphorylmethylsulfinylbenzene?
The InChIKey is KJWHUVXWMFEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4PS/c1-3-14-16(12,15-4-2)10-17(13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of diethoxyphosphorylmethylsulfinylbenzene?
diethoxyphosphorylmethylsulfinylbenzene has a molecular weight of 276.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylsulfinylbenzene is sourced from PubChem (CID 10858739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).