2-(2-oxopropyldisulfanyl)acetyl iodide

C5H7IO2S2 — CID 88941427

IUPAC2-(2-oxopropyldisulfanyl)acetyl iodide
SMILESCC(=O)CSSCC(=O)I
InChIInChI=1S/C5H7IO2S2/c1-4(7)2-9-10-3-5(6)8/h2-3H2,1H3
InChIKeyQPSHVEYJQWNGTO-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.92
Rot. Bonds5

About 2-(2-oxopropyldisulfanyl)acetyl iodide

2-(2-oxopropyldisulfanyl)acetyl iodide (PubChem CID 88941427) has the molecular formula C5H7IO2S2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(2-oxopropyldisulfanyl)acetyl iodide.

Molecular Properties

Compound Name2-(2-oxopropyldisulfanyl)acetyl iodide
PubChem CID88941427
Molecular FormulaC5H7IO2S2
Molecular Weight290.15 g/mol
Exact Mass289.89
IUPAC Name2-(2-oxopropyldisulfanyl)acetyl iodide
SMILESCC(=O)CSSCC(=O)I
InChIInChI=1S/C5H7IO2S2/c1-4(7)2-9-10-3-5(6)8/h2-3H2,1H3
InChIKeyQPSHVEYJQWNGTO-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyldisulfanyl)acetyl iodide?
The IUPAC name of 2-(2-oxopropyldisulfanyl)acetyl iodide (CID 88941427) is 2-(2-oxopropyldisulfanyl)acetyl iodide.
What is the SMILES notation for 2-(2-oxopropyldisulfanyl)acetyl iodide?
The canonical SMILES for 2-(2-oxopropyldisulfanyl)acetyl iodide is CC(=O)CSSCC(=O)I.
What is the InChIKey of 2-(2-oxopropyldisulfanyl)acetyl iodide?
The InChIKey is QPSHVEYJQWNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2S2/c1-4(7)2-9-10-3-5(6)8/h2-3H2,1H3.
What are the key properties of 2-(2-oxopropyldisulfanyl)acetyl iodide?
2-(2-oxopropyldisulfanyl)acetyl iodide has a molecular weight of 290.15 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyldisulfanyl)acetyl iodide is sourced from PubChem (CID 88941427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).