bis(4-hydroxyphenyl)-phenylsulfanium

C18H15O2S+ — CID 14453763

IUPACbis(4-hydroxyphenyl)-phenylsulfanium
SMILESOc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,(H-,19,20)/p+1
InChIKeyKONHJEPYMLZPCM-UHFFFAOYSA-O
MW295.38 g/mol
LogP4.19
Rot. Bonds3

About bis(4-hydroxyphenyl)-phenylsulfanium

bis(4-hydroxyphenyl)-phenylsulfanium (PubChem CID 14453763) has the molecular formula C18H15O2S+ and a molecular weight of 295.38 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-phenylsulfanium.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-phenylsulfanium
PubChem CID14453763
Molecular FormulaC18H15O2S+
Molecular Weight295.38 g/mol
Exact Mass295.08
IUPAC Namebis(4-hydroxyphenyl)-phenylsulfanium
SMILESOc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,(H-,19,20)/p+1
InChIKeyKONHJEPYMLZPCM-UHFFFAOYSA-O
XLogP4.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(4-hydroxyphenyl)-phenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium?
The IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium (CID 14453763) is bis(4-hydroxyphenyl)-phenylsulfanium.
What is the SMILES notation for bis(4-hydroxyphenyl)-phenylsulfanium?
The canonical SMILES for bis(4-hydroxyphenyl)-phenylsulfanium is Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)-phenylsulfanium?
The InChIKey is KONHJEPYMLZPCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14O2S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,(H-,19,20)/p+1.
What are the key properties of bis(4-hydroxyphenyl)-phenylsulfanium?
bis(4-hydroxyphenyl)-phenylsulfanium has a molecular weight of 295.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-phenylsulfanium is sourced from PubChem (CID 14453763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).