[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium

C13H13O3S2+ — CID 172708889

IUPAC[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium
SMILESO=S(O)(O)=[S+]Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O3S2/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H-,14,15,16)/p+1
InChIKeyKQQNIDXQMJJHNA-UHFFFAOYSA-O
MW281.38 g/mol
LogP3.08
Rot. Bonds3

About [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium

[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium (PubChem CID 172708889) has the molecular formula C13H13O3S2+ and a molecular weight of 281.38 g/mol. Its IUPAC name is [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium.

Molecular Properties

Compound Name[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium
PubChem CID172708889
Molecular FormulaC13H13O3S2+
Molecular Weight281.38 g/mol
Exact Mass281.03
IUPAC Name[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium
SMILESO=S(O)(O)=[S+]Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O3S2/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H-,14,15,16)/p+1
InChIKeyKQQNIDXQMJJHNA-UHFFFAOYSA-O
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium with MolForge

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

Launch Full Analysis

Related Compounds

azulene;sulfuric acid
CID 172847947
azulen-6-ylmethanesulfonic acid
CID 150416907
2-(4-phenylphenyl)acetyl chloride
CID 11264727
1-(chloromethyl)-4-phenylbenzene
CID 15463
sodium 2-(4-phenylphenyl)ethanesulfonate
CID 139888452
calcium;hydride;4-phenylbenzenesulfonic acid
CID 173436873
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
azane;(4-phenylphenyl)methyl trifluoromethanesulfonate
CID 175496971
N-[(4-phenylphenyl)methyl]sulfamoyl fluoride
CID 138664404
(4-phenylphenyl)methyl sulfamate
CID 11196316
4-(4-phenylphenyl)-2-sulfanylidene-3-sulfobutanoic acid
CID 54138255
sodium 3,5-diphenylbenzenesulfonic acid
CID 54600742

Frequently Asked Questions

What is the IUPAC name of [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium?
The IUPAC name of [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium (CID 172708889) is [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium.
What is the SMILES notation for [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium?
The canonical SMILES for [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium is O=S(O)(O)=[S+]Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium?
The InChIKey is KQQNIDXQMJJHNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12O3S2/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H-,14,15,16)/p+1.
What are the key properties of [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium?
[dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium has a molecular weight of 281.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy(oxo)-λ6-sulfanylidene]-[(4-phenylphenyl)methyl]sulfanium is sourced from PubChem (CID 172708889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).