[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane

C24H28AsFO3S — CID 141038547

IUPAC[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane
SMILESCCCCCCO[As](=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28AsFO3S/c1-2-3-4-14-21-28-25(26,27)29-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeySHPNDZQPAQLWHK-UHFFFAOYSA-N
MW490.47 g/mol
LogP7.33
Rot. Bonds11

About [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane

[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane (PubChem CID 141038547) has the molecular formula C24H28AsFO3S and a molecular weight of 490.47 g/mol. Its IUPAC name is [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane
PubChem CID141038547
Molecular FormulaC24H28AsFO3S
Molecular Weight490.47 g/mol
Exact Mass490.10
IUPAC Name[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane
SMILESCCCCCCO[As](=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28AsFO3S/c1-2-3-4-14-21-28-25(26,27)29-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeySHPNDZQPAQLWHK-UHFFFAOYSA-N
XLogP7.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Triphenyl-lambda4-sulfanyl) 1,1-difluoro-2-pentoxyethanesulfonate
CID 87123343
[Fluoro(hexoxy)phosphoryl]oxy-triphenyl-lambda4-sulfane
CID 141038508
[(4-Fluorophenyl)-diphenyl-lambda4-sulfanyl] methyl sulfate
CID 156761556
Azanylidyne-diphenyl-propoxy-lambda6-sulfane
CID 15688898
[6-Ethoxy-3,3,4,4-tetrafluoro-1,1-bis(phenylsulfanyl)hexyl]sulfanylbenzene
CID 101166119
Tert-butyl-(2,2-difluorobutoxy)-diphenyl-lambda4-sulfane
CID 145418265
Octyl sulfate;triphenylsulfanium
CID 21972183
(Triphenyl-lambda4-sulfanyl) acetate
CID 57091785
(Triphenyl-lambda4-sulfanyl) hexanoate
CID 66598740
Methoxy(triphenyl)-lambda4-sulfane
CID 67274574
6-(Triphenyl-lambda4-sulfanyl)hexan-1-ol
CID 67326227
Didodecoxy(diphenyl)-lambda4-sulfane
CID 70369394

Frequently Asked Questions

What is the IUPAC name of [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane?
The IUPAC name of [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane (CID 141038547) is [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane.
What is the SMILES notation for [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane?
The canonical SMILES for [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane is CCCCCCO[As](=O)(F)OS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane?
The InChIKey is SHPNDZQPAQLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28AsFO3S/c1-2-3-4-14-21-28-25(26,27)29-30(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3.
What are the key properties of [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane?
[fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane has a molecular weight of 490.47 g/mol, XLogP of 7.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(hexoxy)arsoryl]oxy-triphenyl-λ4-sulfane is sourced from PubChem (CID 141038547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).