bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium

C19H17O2S+ — CID 22901782

IUPACbis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16O2S/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19/h2-13H,1H3,(H-,20,21)/p+1
InChIKeyKCMKLHPIEZISJG-UHFFFAOYSA-O
MW309.41 g/mol
LogP4.50
Rot. Bonds3

About bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium

bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium (PubChem CID 22901782) has the molecular formula C19H17O2S+ and a molecular weight of 309.41 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
PubChem CID22901782
Molecular FormulaC19H17O2S+
Molecular Weight309.41 g/mol
Exact Mass309.09
IUPAC Namebis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16O2S/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19/h2-13H,1H3,(H-,20,21)/p+1
InChIKeyKCMKLHPIEZISJG-UHFFFAOYSA-O
XLogP4.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.50
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-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)sulfanium
CID 162474039
4-methylphenol
CID 70549076
bis(4-hydroxyphenyl)-[4-[[4-[2-(4-hydroxyphenyl)ethyl]phenyl]methyl]phenyl]sulfanium;4-methylphenol
CID 145450993
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
chromium;bis(4-methylphenol);chloride
CID 172752271
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
4-[methylidene-(4-methylphenyl)-λ4-sulfanyl]phenol
CID 23393374
4-methylphenol;2-methylpropane
CID 91606636
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium?
The IUPAC name of bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium (CID 22901782) is bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium.
What is the SMILES notation for bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium?
The canonical SMILES for bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium is Cc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium?
The InChIKey is KCMKLHPIEZISJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16O2S/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19/h2-13H,1H3,(H-,20,21)/p+1.
What are the key properties of bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium?
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium has a molecular weight of 309.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium is sourced from PubChem (CID 22901782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).