2-iodoethyl thiohypoiodite

C2H4I2S — CID 54072596

IUPAC2-iodoethyl thiohypoiodite
SMILESICCSI
InChIInChI=1S/C2H4I2S/c3-1-2-5-4/h1-2H2
InChIKeyMHMLDUNNAJAIDU-UHFFFAOYSA-N
MW313.93 g/mol
LogP2.50
Rot. Bonds2

About 2-iodoethyl thiohypoiodite

2-iodoethyl thiohypoiodite (PubChem CID 54072596) has the molecular formula C2H4I2S and a molecular weight of 313.93 g/mol. Its IUPAC name is 2-iodoethyl thiohypoiodite.

Molecular Properties

Compound Name2-iodoethyl thiohypoiodite
PubChem CID54072596
Molecular FormulaC2H4I2S
Molecular Weight313.93 g/mol
Exact Mass313.81
IUPAC Name2-iodoethyl thiohypoiodite
SMILESICCSI
InChIInChI=1S/C2H4I2S/c3-1-2-5-4/h1-2H2
InChIKeyMHMLDUNNAJAIDU-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.93
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodoethyl thiohypoiodite?
The IUPAC name of 2-iodoethyl thiohypoiodite (CID 54072596) is 2-iodoethyl thiohypoiodite.
What is the SMILES notation for 2-iodoethyl thiohypoiodite?
The canonical SMILES for 2-iodoethyl thiohypoiodite is ICCSI.
What is the InChIKey of 2-iodoethyl thiohypoiodite?
The InChIKey is MHMLDUNNAJAIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4I2S/c3-1-2-5-4/h1-2H2.
What are the key properties of 2-iodoethyl thiohypoiodite?
2-iodoethyl thiohypoiodite has a molecular weight of 313.93 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethyl thiohypoiodite is sourced from PubChem (CID 54072596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).