[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate

C25H23AsO3S — CID 88708524

IUPAC[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate
SMILESC[As](OS(=O)(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23AsO3S/c1-26(22-14-6-2-7-15-22,23-16-8-3-9-17-23,24-18-10-4-11-19-24)29-30(27,28)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyAPSLYPSTWCIGSU-UHFFFAOYSA-N
MW478.45 g/mol
LogP3.64
Rot. Bonds6

About [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate

[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate (PubChem CID 88708524) has the molecular formula C25H23AsO3S and a molecular weight of 478.45 g/mol. Its IUPAC name is [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate.

Molecular Properties

Compound Name[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate
PubChem CID88708524
Molecular FormulaC25H23AsO3S
Molecular Weight478.45 g/mol
Exact Mass478.06
IUPAC Name[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate
SMILESC[As](OS(=O)(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23AsO3S/c1-26(22-14-6-2-7-15-22,23-16-8-3-9-17-23,24-18-10-4-11-19-24)29-30(27,28)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyAPSLYPSTWCIGSU-UHFFFAOYSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate?
The IUPAC name of [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate (CID 88708524) is [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate.
What is the SMILES notation for [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate?
The canonical SMILES for [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate is C[As](OS(=O)(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate?
The InChIKey is APSLYPSTWCIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23AsO3S/c1-26(22-14-6-2-7-15-22,23-16-8-3-9-17-23,24-18-10-4-11-19-24)29-30(27,28)25-20-12-5-13-21-25/h2-21H,1H3.
What are the key properties of [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate?
[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate has a molecular weight of 478.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(triphenyl)-λ5-arsanyl] benzenesulfonate is sourced from PubChem (CID 88708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).