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

C10H14O2S — CID 22486049

IUPAC3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCC1COc2cscc2O1
InChIInChI=1S/C10H14O2S/c1-2-3-4-8-5-11-9-6-13-7-10(9)12-8/h6-8H,2-5H2,1H3
InChIKeyNNIKSVAOFGELNT-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.08
Rot. Bonds3

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

3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 22486049) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID22486049
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCC1COc2cscc2O1
InChIInChI=1S/C10H14O2S/c1-2-3-4-8-5-11-9-6-13-7-10(9)12-8/h6-8H,2-5H2,1H3
InChIKeyNNIKSVAOFGELNT-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 22486049) is 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCCCC1COc2cscc2O1.
What is the InChIKey of 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is NNIKSVAOFGELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-3-4-8-5-11-9-6-13-7-10(9)12-8/h6-8H,2-5H2,1H3.
What are the key properties of 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 198.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 22486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).