3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C8H10O2S — CID 22486048

IUPAC3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCC1COc2cscc2O1
InChIInChI=1S/C8H10O2S/c1-2-6-3-9-7-4-11-5-8(7)10-6/h4-6H,2-3H2,1H3
InChIKeyUSEHYZSWYYJCHO-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.30
Rot. Bonds1

About 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 22486048) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID22486048
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCC1COc2cscc2O1
InChIInChI=1S/C8H10O2S/c1-2-6-3-9-7-4-11-5-8(7)10-6/h4-6H,2-3H2,1H3
InChIKeyUSEHYZSWYYJCHO-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 22486048) is 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCC1COc2cscc2O1.
What is the InChIKey of 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is USEHYZSWYYJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-6-3-9-7-4-11-5-8(7)10-6/h4-6H,2-3H2,1H3.
What are the key properties of 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 170.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 22486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).