(4-formylphenyl)-diphenylsulfanium

C19H15OS+ — CID 23558419

IUPAC(4-formylphenyl)-diphenylsulfanium
SMILESO=Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15OS/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/q+1
InChIKeyDNJJIGZQJRLQAV-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.59
Rot. Bonds4

About (4-formylphenyl)-diphenylsulfanium

(4-formylphenyl)-diphenylsulfanium (PubChem CID 23558419) has the molecular formula C19H15OS+ and a molecular weight of 291.40 g/mol. Its IUPAC name is (4-formylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(4-formylphenyl)-diphenylsulfanium
PubChem CID23558419
Molecular FormulaC19H15OS+
Molecular Weight291.40 g/mol
Exact Mass291.08
IUPAC Name(4-formylphenyl)-diphenylsulfanium
SMILESO=Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15OS/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/q+1
InChIKeyDNJJIGZQJRLQAV-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl)-diphenylsulfanium?
The IUPAC name of (4-formylphenyl)-diphenylsulfanium (CID 23558419) is (4-formylphenyl)-diphenylsulfanium.
What is the SMILES notation for (4-formylphenyl)-diphenylsulfanium?
The canonical SMILES for (4-formylphenyl)-diphenylsulfanium is O=Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-formylphenyl)-diphenylsulfanium?
The InChIKey is DNJJIGZQJRLQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15OS/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/q+1.
What are the key properties of (4-formylphenyl)-diphenylsulfanium?
(4-formylphenyl)-diphenylsulfanium has a molecular weight of 291.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl)-diphenylsulfanium is sourced from PubChem (CID 23558419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).