(3-hydroxyphenyl)-dimethylsulfanium

C8H11OS+ — CID 130034144

IUPAC(3-hydroxyphenyl)-dimethylsulfanium
SMILESC[S+](C)c1cccc(O)c1
InChIInChI=1S/C8H10OS/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3/p+1
InChIKeySRNUOKNNVORIGK-UHFFFAOYSA-O
MW155.24 g/mol
LogP1.63
Rot. Bonds1

About (3-hydroxyphenyl)-dimethylsulfanium

(3-hydroxyphenyl)-dimethylsulfanium (PubChem CID 130034144) has the molecular formula C8H11OS+ and a molecular weight of 155.24 g/mol. Its IUPAC name is (3-hydroxyphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(3-hydroxyphenyl)-dimethylsulfanium
PubChem CID130034144
Molecular FormulaC8H11OS+
Molecular Weight155.24 g/mol
Exact Mass155.05
IUPAC Name(3-hydroxyphenyl)-dimethylsulfanium
SMILESC[S+](C)c1cccc(O)c1
InChIInChI=1S/C8H10OS/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3/p+1
InChIKeySRNUOKNNVORIGK-UHFFFAOYSA-O
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-dimethylsulfanium?
The IUPAC name of (3-hydroxyphenyl)-dimethylsulfanium (CID 130034144) is (3-hydroxyphenyl)-dimethylsulfanium.
What is the SMILES notation for (3-hydroxyphenyl)-dimethylsulfanium?
The canonical SMILES for (3-hydroxyphenyl)-dimethylsulfanium is C[S+](C)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-dimethylsulfanium?
The InChIKey is SRNUOKNNVORIGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10OS/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3/p+1.
What are the key properties of (3-hydroxyphenyl)-dimethylsulfanium?
(3-hydroxyphenyl)-dimethylsulfanium has a molecular weight of 155.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-dimethylsulfanium is sourced from PubChem (CID 130034144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).