2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite

C6H12I2O4S2 — CID 134536296

IUPAC2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite
SMILESISOCCOCCOCCOSI
InChIInChI=1S/C6H12I2O4S2/c7-13-11-5-3-9-1-2-10-4-6-12-14-8/h1-6H2
InChIKeyMDCCWUOUQDDCCB-UHFFFAOYSA-N
MW466.10 g/mol
LogP3.05
Rot. Bonds11

About 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite

2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite (PubChem CID 134536296) has the molecular formula C6H12I2O4S2 and a molecular weight of 466.10 g/mol. Its IUPAC name is 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite
PubChem CID134536296
Molecular FormulaC6H12I2O4S2
Molecular Weight466.10 g/mol
Exact Mass465.83
IUPAC Name2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite
SMILESISOCCOCCOCCOSI
InChIInChI=1S/C6H12I2O4S2/c7-13-11-5-3-9-1-2-10-4-6-12-14-8/h1-6H2
InChIKeyMDCCWUOUQDDCCB-UHFFFAOYSA-N
XLogP3.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite
CID 167030771
2-aminoethoxy thiohypoiodite
CID 167199688
tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
2-[(4-methylcyclohexa-1,4-dien-1-yl)methoxy]ethoxy thiohypoiodite
CID 145060150
octoxy thiohypoiodite
CID 134267423
tetracosoxy thiohypoiodite
CID 175742005
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxysulfanyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 174218980
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxysulfanyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 174218968
4-phenylmethoxybutoxy thiohypoiodite
CID 142364992
1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane
CID 141442958
CID 172826348
CID 172826348
2-[2-[2-[2-(2-hydroxyethoxy)ethylsulfanyloxy]ethoxy]ethoxy]ethanol
CID 87997733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite?
The IUPAC name of 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite (CID 134536296) is 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite.
What is the SMILES notation for 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite?
The canonical SMILES for 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite is ISOCCOCCOCCOSI.
What is the InChIKey of 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite?
The InChIKey is MDCCWUOUQDDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2O4S2/c7-13-11-5-3-9-1-2-10-4-6-12-14-8/h1-6H2.
What are the key properties of 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite?
2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite has a molecular weight of 466.10 g/mol, XLogP of 3.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy thiohypoiodite is sourced from PubChem (CID 134536296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).