(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride

C20H19ClOS — CID 172691925

IUPAC(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
SMILESCc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.[Cl-]
InChIInChI=1S/C20H18OS.ClH/c1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14H,1-2H3;1H
InChIKeyBUHOQHQPEGVFLL-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.11
Rot. Bonds3

About (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride

(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride (PubChem CID 172691925) has the molecular formula C20H19ClOS and a molecular weight of 342.89 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
PubChem CID172691925
Molecular FormulaC20H19ClOS
Molecular Weight342.89 g/mol
Exact Mass342.08
IUPAC Name(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
SMILESCc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.[Cl-]
InChIInChI=1S/C20H18OS.ClH/c1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14H,1-2H3;1H
InChIKeyBUHOQHQPEGVFLL-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.11
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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Related Compounds

(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium bromide
CID 165110171
(4-hydroxy-3,5-dimethylphenyl)-(4-methoxycarbonylphenyl)-phenylsulfanium
CID 164747017
1,1,2,2,3,3-hexafluorobutane-1-sulfonate;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium
CID 157388254
(4-tert-butyl-3,5-dimethylphenyl)-diphenylsulfanium
CID 58445560
bis(3,5-dimethylphenyl)-phenylsulfanium
CID 22057408
[3,5-dimethyl-4-(trifluoromethyl)phenyl]-diphenylsulfanium
CID 58205732
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium
CID 58205684
[4-(2,2-dihydroxyethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
CID 153282711
diphenyl-(2,4,6-trimethylphenyl)sulfanium acetate
CID 86209985
phenyl-bis(2,4,6-trimethylphenyl)sulfanium acetate
CID 162307446
(4-hexanoyloxy-3,5-dimethylphenyl)-diphenylsulfanium
CID 158522075

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride?
The IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride (CID 172691925) is (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride.
What is the SMILES notation for (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride?
The canonical SMILES for (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride is Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.[Cl-].
What is the InChIKey of (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride?
The InChIKey is BUHOQHQPEGVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS.ClH/c1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-14H,1-2H3;1H.
What are the key properties of (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride?
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride has a molecular weight of 342.89 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride is sourced from PubChem (CID 172691925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).