(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium

C10H15OS+ — CID 23342401

IUPAC(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium
SMILESCc1cc([S+](C)C)c(C)cc1O
InChIInChI=1S/C10H14OS/c1-7-6-10(12(3)4)8(2)5-9(7)11/h5-6H,1-4H3/p+1
InChIKeyYTTQAGSPSHZGAJ-UHFFFAOYSA-O
MW183.30 g/mol
LogP2.25
Rot. Bonds1

About (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium

(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium (PubChem CID 23342401) has the molecular formula C10H15OS+ and a molecular weight of 183.30 g/mol. Its IUPAC name is (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium
PubChem CID23342401
Molecular FormulaC10H15OS+
Molecular Weight183.30 g/mol
Exact Mass183.08
IUPAC Name(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium
SMILESCc1cc([S+](C)C)c(C)cc1O
InChIInChI=1S/C10H14OS/c1-7-6-10(12(3)4)8(2)5-9(7)11/h5-6H,1-4H3/p+1
InChIKeyYTTQAGSPSHZGAJ-UHFFFAOYSA-O
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.25
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 (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium?
The IUPAC name of (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium (CID 23342401) is (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium.
What is the SMILES notation for (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium?
The canonical SMILES for (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium is Cc1cc([S+](C)C)c(C)cc1O.
What is the InChIKey of (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium?
The InChIKey is YTTQAGSPSHZGAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14OS/c1-7-6-10(12(3)4)8(2)5-9(7)11/h5-6H,1-4H3/p+1.
What are the key properties of (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium?
(4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium has a molecular weight of 183.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,5-dimethylphenyl)-dimethylsulfanium is sourced from PubChem (CID 23342401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).