[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium

C24H23O2S+ — CID 59378976

IUPAC[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium
SMILESO=C1OCCC1CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23O2S/c25-24-20(17-18-26-24)14-11-19-12-15-23(16-13-19)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12-13,15-16,20H,11,14,17-18H2/q+1
InChIKeyMMGZAGXVVDKFAU-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.28
Rot. Bonds6

About [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium

[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium (PubChem CID 59378976) has the molecular formula C24H23O2S+ and a molecular weight of 375.51 g/mol. Its IUPAC name is [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium
PubChem CID59378976
Molecular FormulaC24H23O2S+
Molecular Weight375.51 g/mol
Exact Mass375.14
IUPAC Name[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium
SMILESO=C1OCCC1CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23O2S/c25-24-20(17-18-26-24)14-11-19-12-15-23(16-13-19)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12-13,15-16,20H,11,14,17-18H2/q+1
InChIKeyMMGZAGXVVDKFAU-UHFFFAOYSA-N
XLogP5.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium (CID 59378976) is [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium is O=C1OCCC1CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium?
The InChIKey is MMGZAGXVVDKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2S/c25-24-20(17-18-26-24)14-11-19-12-15-23(16-13-19)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12-13,15-16,20H,11,14,17-18H2/q+1.
What are the key properties of [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium?
[4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium has a molecular weight of 375.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-oxooxolan-3-yl)ethyl]phenyl]-diphenylsulfanium is sourced from PubChem (CID 59378976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).