2-aminoethoxy thiohypoiodite

C2H6INOS — CID 167199688

IUPAC2-aminoethoxy thiohypoiodite
SMILESNCCOSI
InChIInChI=1S/C2H6INOS/c3-6-5-2-1-4/h1-2,4H2
InChIKeyQYIUJLKQSNDFTH-UHFFFAOYSA-N
MW219.05 g/mol
LogP0.96
Rot. Bonds3

About 2-aminoethoxy thiohypoiodite

2-aminoethoxy thiohypoiodite (PubChem CID 167199688) has the molecular formula C2H6INOS and a molecular weight of 219.05 g/mol. Its IUPAC name is 2-aminoethoxy thiohypoiodite.

Molecular Properties

Compound Name2-aminoethoxy thiohypoiodite
PubChem CID167199688
Molecular FormulaC2H6INOS
Molecular Weight219.05 g/mol
Exact Mass218.92
IUPAC Name2-aminoethoxy thiohypoiodite
SMILESNCCOSI
InChIInChI=1S/C2H6INOS/c3-6-5-2-1-4/h1-2,4H2
InChIKeyQYIUJLKQSNDFTH-UHFFFAOYSA-N
XLogP0.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy thiohypoiodite?
The IUPAC name of 2-aminoethoxy thiohypoiodite (CID 167199688) is 2-aminoethoxy thiohypoiodite.
What is the SMILES notation for 2-aminoethoxy thiohypoiodite?
The canonical SMILES for 2-aminoethoxy thiohypoiodite is NCCOSI.
What is the InChIKey of 2-aminoethoxy thiohypoiodite?
The InChIKey is QYIUJLKQSNDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6INOS/c3-6-5-2-1-4/h1-2,4H2.
What are the key properties of 2-aminoethoxy thiohypoiodite?
2-aminoethoxy thiohypoiodite has a molecular weight of 219.05 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy thiohypoiodite is sourced from PubChem (CID 167199688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).