dibenzyl-(4-hydroxyphenyl)sulfanium

C20H19OS+ — CID 18182968

IUPACdibenzyl-(4-hydroxyphenyl)sulfanium
SMILESOc1ccc([S+](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C20H18OS/c21-19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2/p+1
InChIKeyUPTHFHXXDKPWMT-UHFFFAOYSA-O
MW307.44 g/mol
LogP4.77
Rot. Bonds5

About dibenzyl-(4-hydroxyphenyl)sulfanium

dibenzyl-(4-hydroxyphenyl)sulfanium (PubChem CID 18182968) has the molecular formula C20H19OS+ and a molecular weight of 307.44 g/mol. Its IUPAC name is dibenzyl-(4-hydroxyphenyl)sulfanium.

Molecular Properties

Compound Namedibenzyl-(4-hydroxyphenyl)sulfanium
PubChem CID18182968
Molecular FormulaC20H19OS+
Molecular Weight307.44 g/mol
Exact Mass307.12
IUPAC Namedibenzyl-(4-hydroxyphenyl)sulfanium
SMILESOc1ccc([S+](Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C20H18OS/c21-19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2/p+1
InChIKeyUPTHFHXXDKPWMT-UHFFFAOYSA-O
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 dibenzyl-(4-hydroxyphenyl)sulfanium?
The IUPAC name of dibenzyl-(4-hydroxyphenyl)sulfanium (CID 18182968) is dibenzyl-(4-hydroxyphenyl)sulfanium.
What is the SMILES notation for dibenzyl-(4-hydroxyphenyl)sulfanium?
The canonical SMILES for dibenzyl-(4-hydroxyphenyl)sulfanium is Oc1ccc([S+](Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of dibenzyl-(4-hydroxyphenyl)sulfanium?
The InChIKey is UPTHFHXXDKPWMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18OS/c21-19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2/p+1.
What are the key properties of dibenzyl-(4-hydroxyphenyl)sulfanium?
dibenzyl-(4-hydroxyphenyl)sulfanium has a molecular weight of 307.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-(4-hydroxyphenyl)sulfanium is sourced from PubChem (CID 18182968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).