diethyl phenylsulfanyl phosphate

C10H15O4PS — CID 141165956

IUPACdiethyl phenylsulfanyl phosphate
SMILESCCOP(=O)(OCC)OSc1ccccc1
InChIInChI=1S/C10H15O4PS/c1-3-12-15(11,13-4-2)14-16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyRJDUICPRVPVSQJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.89
Rot. Bonds7

About diethyl phenylsulfanyl phosphate

diethyl phenylsulfanyl phosphate (PubChem CID 141165956) has the molecular formula C10H15O4PS and a molecular weight of 262.27 g/mol. Its IUPAC name is diethyl phenylsulfanyl phosphate.

Molecular Properties

Compound Namediethyl phenylsulfanyl phosphate
PubChem CID141165956
Molecular FormulaC10H15O4PS
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Namediethyl phenylsulfanyl phosphate
SMILESCCOP(=O)(OCC)OSc1ccccc1
InChIInChI=1S/C10H15O4PS/c1-3-12-15(11,13-4-2)14-16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyRJDUICPRVPVSQJ-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenylsulfanyloxy)phosphoryl]-4-nitrobenzene
CID 141020327
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
CID 71351687
(1-diethoxyphosphoryl-2-phenylsulfanylethyl) diethyl phosphate
CID 11683306
[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
[(E)-2-chloro-1-diethoxyphosphorylprop-1-enyl]sulfanylbenzene
CID 13310544
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
benzyl ethyl methyl phosphate
CID 152677778
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
(4-bromo-2-chlorophenyl)sulfanyl diethyl phosphate
CID 141295018
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634

Frequently Asked Questions

What is the IUPAC name of diethyl phenylsulfanyl phosphate?
The IUPAC name of diethyl phenylsulfanyl phosphate (CID 141165956) is diethyl phenylsulfanyl phosphate.
What is the SMILES notation for diethyl phenylsulfanyl phosphate?
The canonical SMILES for diethyl phenylsulfanyl phosphate is CCOP(=O)(OCC)OSc1ccccc1.
What is the InChIKey of diethyl phenylsulfanyl phosphate?
The InChIKey is RJDUICPRVPVSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4PS/c1-3-12-15(11,13-4-2)14-16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl phenylsulfanyl phosphate?
diethyl phenylsulfanyl phosphate has a molecular weight of 262.27 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phenylsulfanyl phosphate is sourced from PubChem (CID 141165956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).