3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C8H9IO2S — CID 118522965

IUPAC3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(I)C1COc2cscc2O1
InChIInChI=1S/C8H9IO2S/c1-5(9)6-2-10-7-3-12-4-8(7)11-6/h3-6H,2H2,1H3
InChIKeySFDJYIIZFBVZCD-UHFFFAOYSA-N
MW296.13 g/mol
LogP2.71
Rot. Bonds1

About 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 118522965) has the molecular formula C8H9IO2S and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID118522965
Molecular FormulaC8H9IO2S
Molecular Weight296.13 g/mol
Exact Mass295.94
IUPAC Name3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(I)C1COc2cscc2O1
InChIInChI=1S/C8H9IO2S/c1-5(9)6-2-10-7-3-12-4-8(7)11-6/h3-6H,2H2,1H3
InChIKeySFDJYIIZFBVZCD-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Ethylenedioxythiophene
CID 4421864
2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol
CID 16067438
2-ethyl-2H,3H-thieno(3,4-b)(1,4)dioxine
CID 22486048
2-Butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 22486049
2-(Bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 56923686
2-(iodomethyl)-2H,3H-thieno[3,4-b][1,4]dioxine
CID 118523310
2-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 12128760
2,3-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23513202
2,3,5,6-Tetrahydrothieno[3,4-b][1,4,7]trioxonine
CID 58807327
3,4-Dibutoxythiophene
CID 10944218
3,4-Diethoxythiophene
CID 10997510
3,4-Di-n-propoxythiophene
CID 11401397

Frequently Asked Questions

What is the IUPAC name of 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 118522965) is 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC(I)C1COc2cscc2O1.
What is the InChIKey of 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is SFDJYIIZFBVZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2S/c1-5(9)6-2-10-7-3-12-4-8(7)11-6/h3-6H,2H2,1H3.
What are the key properties of 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 296.13 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-iodoethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 118522965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).