[ethoxy(ethylsulfanyl)phosphoryl]benzene

C10H15O2PS — CID 132569675

IUPAC[ethoxy(ethylsulfanyl)phosphoryl]benzene
SMILESCCO[P@](=O)(SCC)c1ccccc1
InChIInChI=1S/C10H15O2PS/c1-3-12-13(11,14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t13-/m0/s1
InChIKeyWYIYLVMTBPAZLA-ZDUSSCGKSA-N
MW230.27 g/mol
LogP3.29
Rot. Bonds5

About [ethoxy(ethylsulfanyl)phosphoryl]benzene

[ethoxy(ethylsulfanyl)phosphoryl]benzene (PubChem CID 132569675) has the molecular formula C10H15O2PS and a molecular weight of 230.27 g/mol. Its IUPAC name is [ethoxy(ethylsulfanyl)phosphoryl]benzene.

Molecular Properties

Compound Name[ethoxy(ethylsulfanyl)phosphoryl]benzene
PubChem CID132569675
Molecular FormulaC10H15O2PS
Molecular Weight230.27 g/mol
Exact Mass230.05
IUPAC Name[ethoxy(ethylsulfanyl)phosphoryl]benzene
SMILESCCO[P@](=O)(SCC)c1ccccc1
InChIInChI=1S/C10H15O2PS/c1-3-12-13(11,14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t13-/m0/s1
InChIKeyWYIYLVMTBPAZLA-ZDUSSCGKSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethylsulfanyl)phosphoryl]benzene?
The IUPAC name of [ethoxy(ethylsulfanyl)phosphoryl]benzene (CID 132569675) is [ethoxy(ethylsulfanyl)phosphoryl]benzene.
What is the SMILES notation for [ethoxy(ethylsulfanyl)phosphoryl]benzene?
The canonical SMILES for [ethoxy(ethylsulfanyl)phosphoryl]benzene is CCO[P@](=O)(SCC)c1ccccc1.
What is the InChIKey of [ethoxy(ethylsulfanyl)phosphoryl]benzene?
The InChIKey is WYIYLVMTBPAZLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C10H15O2PS/c1-3-12-13(11,14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t13-/m0/s1.
What are the key properties of [ethoxy(ethylsulfanyl)phosphoryl]benzene?
[ethoxy(ethylsulfanyl)phosphoryl]benzene has a molecular weight of 230.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethylsulfanyl)phosphoryl]benzene is sourced from PubChem (CID 132569675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).