(2,4-dihydroxyphenyl)-diphenylsulfanium

C18H15O2S+ — CID 22057240

IUPAC(2,4-dihydroxyphenyl)-diphenylsulfanium
SMILESOc1ccc([S+](c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C18H14O2S/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H-,19,20)/p+1
InChIKeyNPOKDFJMZIELNR-UHFFFAOYSA-O
MW295.38 g/mol
LogP4.19
Rot. Bonds3

About (2,4-dihydroxyphenyl)-diphenylsulfanium

(2,4-dihydroxyphenyl)-diphenylsulfanium (PubChem CID 22057240) has the molecular formula C18H15O2S+ and a molecular weight of 295.38 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-diphenylsulfanium
PubChem CID22057240
Molecular FormulaC18H15O2S+
Molecular Weight295.38 g/mol
Exact Mass295.08
IUPAC Name(2,4-dihydroxyphenyl)-diphenylsulfanium
SMILESOc1ccc([S+](c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C18H14O2S/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H-,19,20)/p+1
InChIKeyNPOKDFJMZIELNR-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'}

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Related Compounds

bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
bis(2-hydroxyphenyl)-phenylsulfanium;hexafluoroarsenic(1-)
CID 19382081
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
tris(3-hydroxyphenyl)sulfanium
CID 59480043
benzene-1,2,4-triol;benzoic acid
CID 161265651
bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
CID 23132993
1,1'-biphenyl;2-phosphanylbenzene-1,4-diol
CID 174494333
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
benzene-1,2-diol;ruthenium
CID 175866633

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-diphenylsulfanium?
The IUPAC name of (2,4-dihydroxyphenyl)-diphenylsulfanium (CID 22057240) is (2,4-dihydroxyphenyl)-diphenylsulfanium.
What is the SMILES notation for (2,4-dihydroxyphenyl)-diphenylsulfanium?
The canonical SMILES for (2,4-dihydroxyphenyl)-diphenylsulfanium is Oc1ccc([S+](c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of (2,4-dihydroxyphenyl)-diphenylsulfanium?
The InChIKey is NPOKDFJMZIELNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14O2S/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H-,19,20)/p+1.
What are the key properties of (2,4-dihydroxyphenyl)-diphenylsulfanium?
(2,4-dihydroxyphenyl)-diphenylsulfanium 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 (2,4-dihydroxyphenyl)-diphenylsulfanium is sourced from PubChem (CID 22057240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).