(4-hydroxyphenyl)-dimethylsulfanium chloride

C8H11ClOS — CID 13865

IUPAC(4-hydroxyphenyl)-dimethylsulfanium chloride
SMILESC[S+](C)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C8H10OS.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,1-2H3;1H
InChIKeyUXWDJTXZHNODLR-UHFFFAOYSA-N
MW190.69 g/mol
LogP-1.37
Rot. Bonds1

About (4-hydroxyphenyl)-dimethylsulfanium chloride

(4-hydroxyphenyl)-dimethylsulfanium chloride (PubChem CID 13865) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is (4-hydroxyphenyl)-dimethylsulfanium chloride.

Molecular Properties

Compound Name(4-hydroxyphenyl)-dimethylsulfanium chloride
PubChem CID13865
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name(4-hydroxyphenyl)-dimethylsulfanium chloride
SMILESC[S+](C)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C8H10OS.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,1-2H3;1H
InChIKeyUXWDJTXZHNODLR-UHFFFAOYSA-N
XLogP-1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-hydroxyphenyl)-dimethylsulfanium chloride 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 (4-hydroxyphenyl)-dimethylsulfanium chloride?
The IUPAC name of (4-hydroxyphenyl)-dimethylsulfanium chloride (CID 13865) is (4-hydroxyphenyl)-dimethylsulfanium chloride.
What is the SMILES notation for (4-hydroxyphenyl)-dimethylsulfanium chloride?
The canonical SMILES for (4-hydroxyphenyl)-dimethylsulfanium chloride is C[S+](C)c1ccc(O)cc1.[Cl-].
What is the InChIKey of (4-hydroxyphenyl)-dimethylsulfanium chloride?
The InChIKey is UXWDJTXZHNODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,1-2H3;1H.
What are the key properties of (4-hydroxyphenyl)-dimethylsulfanium chloride?
(4-hydroxyphenyl)-dimethylsulfanium chloride has a molecular weight of 190.69 g/mol, XLogP of -1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-dimethylsulfanium chloride is sourced from PubChem (CID 13865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).