(3-ethoxyazetidin-1-yl) thiohypoiodite

C5H10INOS — CID 167202371

IUPAC(3-ethoxyazetidin-1-yl) thiohypoiodite
SMILESCCOC1CN(SI)C1
InChIInChI=1S/C5H10INOS/c1-2-8-5-3-7(4-5)9-6/h5H,2-4H2,1H3
InChIKeyWSGLJKUVSBREOO-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.71
Rot. Bonds3

About (3-ethoxyazetidin-1-yl) thiohypoiodite

(3-ethoxyazetidin-1-yl) thiohypoiodite (PubChem CID 167202371) has the molecular formula C5H10INOS and a molecular weight of 259.11 g/mol. Its IUPAC name is (3-ethoxyazetidin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(3-ethoxyazetidin-1-yl) thiohypoiodite
PubChem CID167202371
Molecular FormulaC5H10INOS
Molecular Weight259.11 g/mol
Exact Mass258.95
IUPAC Name(3-ethoxyazetidin-1-yl) thiohypoiodite
SMILESCCOC1CN(SI)C1
InChIInChI=1S/C5H10INOS/c1-2-8-5-3-7(4-5)9-6/h5H,2-4H2,1H3
InChIKeyWSGLJKUVSBREOO-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(2-iodoethyl)azetidine
CID 166768424
ethane;1-ethoxy-3-methylcyclobutane
CID 169190771
3-ethoxy-6-azabicyclo[3.1.1]heptane
CID 169176949
4-ethoxypiperidin-1-ium
CID 42426701
ethoxycyclooctane
CID 13427982
3-ethoxyazetidine
CID 22507733
3-(4-ethoxycyclohexyl)oxy-1-ethylazetidine
CID 171638982
1-[(3-ethoxyazetidin-1-yl)methyl]cyclopentan-1-ol
CID 126846884
azane;ethoxycyclooctane
CID 70271275
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
1-ethoxy-3-methylsulfanylcyclopentane
CID 135369072
5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine
CID 175956804

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyazetidin-1-yl) thiohypoiodite?
The IUPAC name of (3-ethoxyazetidin-1-yl) thiohypoiodite (CID 167202371) is (3-ethoxyazetidin-1-yl) thiohypoiodite.
What is the SMILES notation for (3-ethoxyazetidin-1-yl) thiohypoiodite?
The canonical SMILES for (3-ethoxyazetidin-1-yl) thiohypoiodite is CCOC1CN(SI)C1.
What is the InChIKey of (3-ethoxyazetidin-1-yl) thiohypoiodite?
The InChIKey is WSGLJKUVSBREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INOS/c1-2-8-5-3-7(4-5)9-6/h5H,2-4H2,1H3.
What are the key properties of (3-ethoxyazetidin-1-yl) thiohypoiodite?
(3-ethoxyazetidin-1-yl) thiohypoiodite has a molecular weight of 259.11 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyazetidin-1-yl) thiohypoiodite is sourced from PubChem (CID 167202371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).