diethoxyphosphorylsulfanylbenzene

C10H15O3PS — CID 573125

IUPACdiethoxyphosphorylsulfanylbenzene
SMILESCCOP(=O)(OCC)Sc1ccccc1
InChIInChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGFWPLRWWFQJJOL-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.96
Rot. Bonds6

About diethoxyphosphorylsulfanylbenzene

diethoxyphosphorylsulfanylbenzene (PubChem CID 573125) has the molecular formula C10H15O3PS and a molecular weight of 246.27 g/mol. Its IUPAC name is diethoxyphosphorylsulfanylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylsulfanylbenzene
PubChem CID573125
Molecular FormulaC10H15O3PS
Molecular Weight246.27 g/mol
Exact Mass246.05
IUPAC Namediethoxyphosphorylsulfanylbenzene
SMILESCCOP(=O)(OCC)Sc1ccccc1
InChIInChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGFWPLRWWFQJJOL-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.96
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 diethoxyphosphorylsulfanylbenzene?
The IUPAC name of diethoxyphosphorylsulfanylbenzene (CID 573125) is diethoxyphosphorylsulfanylbenzene.
What is the SMILES notation for diethoxyphosphorylsulfanylbenzene?
The canonical SMILES for diethoxyphosphorylsulfanylbenzene is CCOP(=O)(OCC)Sc1ccccc1.
What is the InChIKey of diethoxyphosphorylsulfanylbenzene?
The InChIKey is GFWPLRWWFQJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethoxyphosphorylsulfanylbenzene?
diethoxyphosphorylsulfanylbenzene has a molecular weight of 246.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylsulfanylbenzene is sourced from PubChem (CID 573125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).