[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium

C18H17O4S+ — CID 59379014

IUPAC[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium
SMILESO=C(C[S+](c1ccccc1)c1ccccc1)OC1CCOC1=O
InChIInChI=1S/C18H17O4S/c19-17(22-16-11-12-21-18(16)20)13-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2/q+1
InChIKeyLEIOGVBXDXJMOS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.58
Rot. Bonds5

About [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium

[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium (PubChem CID 59379014) has the molecular formula C18H17O4S+ and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium.

Molecular Properties

Compound Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium
PubChem CID59379014
Molecular FormulaC18H17O4S+
Molecular Weight329.40 g/mol
Exact Mass329.08
IUPAC Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium
SMILESO=C(C[S+](c1ccccc1)c1ccccc1)OC1CCOC1=O
InChIInChI=1S/C18H17O4S/c19-17(22-16-11-12-21-18(16)20)13-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2/q+1
InChIKeyLEIOGVBXDXJMOS-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium?
The IUPAC name of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium (CID 59379014) is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium.
What is the SMILES notation for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium?
The canonical SMILES for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium is O=C(C[S+](c1ccccc1)c1ccccc1)OC1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium?
The InChIKey is LEIOGVBXDXJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O4S/c19-17(22-16-11-12-21-18(16)20)13-23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2/q+1.
What are the key properties of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium?
[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium has a molecular weight of 329.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]-diphenylsulfanium is sourced from PubChem (CID 59379014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).