diphenylsulfoniomethyl(diphenyl)sulfanium

C25H22S2+2 — CID 87578426

IUPACdiphenylsulfoniomethyl(diphenyl)sulfanium
SMILESc1ccc([S+](C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22S2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+2
InChIKeyRPODHHQECWZSAR-UHFFFAOYSA-N
MW386.59 g/mol
LogP6.42
Rot. Bonds6

About diphenylsulfoniomethyl(diphenyl)sulfanium

diphenylsulfoniomethyl(diphenyl)sulfanium (PubChem CID 87578426) has the molecular formula C25H22S2+2 and a molecular weight of 386.59 g/mol. Its IUPAC name is diphenylsulfoniomethyl(diphenyl)sulfanium.

Molecular Properties

Compound Namediphenylsulfoniomethyl(diphenyl)sulfanium
PubChem CID87578426
Molecular FormulaC25H22S2+2
Molecular Weight386.59 g/mol
Exact Mass386.12
IUPAC Namediphenylsulfoniomethyl(diphenyl)sulfanium
SMILESc1ccc([S+](C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22S2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+2
InChIKeyRPODHHQECWZSAR-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 diphenylsulfoniomethyl(diphenyl)sulfanium?
The IUPAC name of diphenylsulfoniomethyl(diphenyl)sulfanium (CID 87578426) is diphenylsulfoniomethyl(diphenyl)sulfanium.
What is the SMILES notation for diphenylsulfoniomethyl(diphenyl)sulfanium?
The canonical SMILES for diphenylsulfoniomethyl(diphenyl)sulfanium is c1ccc([S+](C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylsulfoniomethyl(diphenyl)sulfanium?
The InChIKey is RPODHHQECWZSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22S2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+2.
What are the key properties of diphenylsulfoniomethyl(diphenyl)sulfanium?
diphenylsulfoniomethyl(diphenyl)sulfanium has a molecular weight of 386.59 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsulfoniomethyl(diphenyl)sulfanium is sourced from PubChem (CID 87578426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).