5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C10H12Br2O4S — CID 71286970

IUPAC5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCC1COc2c(Br)sc(Br)c2O1
InChIInChI=1S/C10H12Br2O4S/c1-13-2-3-14-4-6-5-15-7-8(16-6)10(12)17-9(7)11/h6H,2-5H2,1H3
InChIKeyXPSQNWDWXOXHLD-UHFFFAOYSA-N
MW388.08 g/mol
LogP3.08
Rot. Bonds5

About 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 71286970) has the molecular formula C10H12Br2O4S and a molecular weight of 388.08 g/mol. Its IUPAC name is 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID71286970
Molecular FormulaC10H12Br2O4S
Molecular Weight388.08 g/mol
Exact Mass385.88
IUPAC Name5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCC1COc2c(Br)sc(Br)c2O1
InChIInChI=1S/C10H12Br2O4S/c1-13-2-3-14-4-6-5-15-7-8(16-6)10(12)17-9(7)11/h6H,2-5H2,1H3
InChIKeyXPSQNWDWXOXHLD-UHFFFAOYSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dibromo-3-(2-methoxyethoxymethyl)-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 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 71286970) is 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is COCCOCC1COc2c(Br)sc(Br)c2O1.
What is the InChIKey of 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is XPSQNWDWXOXHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O4S/c1-13-2-3-14-4-6-5-15-7-8(16-6)10(12)17-9(7)11/h6H,2-5H2,1H3.
What are the key properties of 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 388.08 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-(2-methoxyethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 71286970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).