2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite

C8H13IOS — CID 163589828

IUPAC2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite
SMILESISCCC1CCC2OC2C1
InChIInChI=1S/C8H13IOS/c9-11-4-3-6-1-2-7-8(5-6)10-7/h6-8H,1-5H2
InChIKeyGOOOMEGKZLRPJG-UHFFFAOYSA-N
MW284.16 g/mol
LogP3.03
Rot. Bonds3

About 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite

2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite (PubChem CID 163589828) has the molecular formula C8H13IOS and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite.

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite
PubChem CID163589828
Molecular FormulaC8H13IOS
Molecular Weight284.16 g/mol
Exact Mass283.97
IUPAC Name2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite
SMILESISCCC1CCC2OC2C1
InChIInChI=1S/C8H13IOS/c9-11-4-3-6-1-2-7-8(5-6)10-7/h6-8H,1-5H2
InChIKeyGOOOMEGKZLRPJG-UHFFFAOYSA-N
XLogP3.03
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butylsulfanylethyl)-7-oxabicyclo[4.1.0]heptane
CID 71426549
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 123346653
hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
CID 4166920
CID 22630444
CID 22630444
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 143374563
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
3-(3,3,3-trimethoxypropyl)-7-oxabicyclo[4.1.0]heptane
CID 146705904
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
CID 45052171
CID 45052171

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite (CID 163589828) is 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite.
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite is ISCCC1CCC2OC2C1.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite?
The InChIKey is GOOOMEGKZLRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IOS/c9-11-4-3-6-1-2-7-8(5-6)10-7/h6-8H,1-5H2.
What are the key properties of 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite?
2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite has a molecular weight of 284.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite is sourced from PubChem (CID 163589828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).