(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide

C9H13IOS — CID 19760102

IUPAC(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide
SMILESCc1cc(O)ccc1[S+](C)C.[I-]
InChIInChI=1S/C9H12OS.HI/c1-7-6-8(10)4-5-9(7)11(2)3;/h4-6H,1-3H3;1H
InChIKeyYOSZSFQUGLGBPS-UHFFFAOYSA-N
MW296.17 g/mol
LogP-1.06
Rot. Bonds1

About (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide

(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide (PubChem CID 19760102) has the molecular formula C9H13IOS and a molecular weight of 296.17 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide
PubChem CID19760102
Molecular FormulaC9H13IOS
Molecular Weight296.17 g/mol
Exact Mass295.97
IUPAC Name(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide
SMILESCc1cc(O)ccc1[S+](C)C.[I-]
InChIInChI=1S/C9H12OS.HI/c1-7-6-8(10)4-5-9(7)11(2)3;/h4-6H,1-3H3;1H
InChIKeyYOSZSFQUGLGBPS-UHFFFAOYSA-N
XLogP-1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide?
The IUPAC name of (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide (CID 19760102) is (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide is Cc1cc(O)ccc1[S+](C)C.[I-].
What is the InChIKey of (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide?
The InChIKey is YOSZSFQUGLGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS.HI/c1-7-6-8(10)4-5-9(7)11(2)3;/h4-6H,1-3H3;1H.
What are the key properties of (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide?
(4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide has a molecular weight of 296.17 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)-dimethylsulfanium iodide is sourced from PubChem (CID 19760102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).