2-hydroxy-2-methylbutanethioyl iodide

C5H9IOS — CID 162097418

IUPAC2-hydroxy-2-methylbutanethioyl iodide
SMILESCCC(C)(O)C(=S)I
InChIInChI=1S/C5H9IOS/c1-3-5(2,7)4(6)8/h7H,3H2,1-2H3
InChIKeyFOQYQWBGMDEGKW-UHFFFAOYSA-N
MW244.10 g/mol
LogP1.91
Rot. Bonds2

About 2-hydroxy-2-methylbutanethioyl iodide

2-hydroxy-2-methylbutanethioyl iodide (PubChem CID 162097418) has the molecular formula C5H9IOS and a molecular weight of 244.10 g/mol. Its IUPAC name is 2-hydroxy-2-methylbutanethioyl iodide.

Molecular Properties

Compound Name2-hydroxy-2-methylbutanethioyl iodide
PubChem CID162097418
Molecular FormulaC5H9IOS
Molecular Weight244.10 g/mol
Exact Mass243.94
IUPAC Name2-hydroxy-2-methylbutanethioyl iodide
SMILESCCC(C)(O)C(=S)I
InChIInChI=1S/C5H9IOS/c1-3-5(2,7)4(6)8/h7H,3H2,1-2H3
InChIKeyFOQYQWBGMDEGKW-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylbutanethioyl iodide?
The IUPAC name of 2-hydroxy-2-methylbutanethioyl iodide (CID 162097418) is 2-hydroxy-2-methylbutanethioyl iodide.
What is the SMILES notation for 2-hydroxy-2-methylbutanethioyl iodide?
The canonical SMILES for 2-hydroxy-2-methylbutanethioyl iodide is CCC(C)(O)C(=S)I.
What is the InChIKey of 2-hydroxy-2-methylbutanethioyl iodide?
The InChIKey is FOQYQWBGMDEGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IOS/c1-3-5(2,7)4(6)8/h7H,3H2,1-2H3.
What are the key properties of 2-hydroxy-2-methylbutanethioyl iodide?
2-hydroxy-2-methylbutanethioyl iodide has a molecular weight of 244.10 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylbutanethioyl iodide is sourced from PubChem (CID 162097418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).