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

C6H4Br2O2S — CID 3834570

IUPAC5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(Br)c2c1OCCO2
InChIInChI=1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKeyFHMRWRBNAIDRAP-UHFFFAOYSA-N
MW299.97 g/mol
LogP3.04
Rot. Bonds

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

5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 3834570) has the molecular formula C6H4Br2O2S and a molecular weight of 299.97 g/mol. Its IUPAC name is 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID3834570
Molecular FormulaC6H4Br2O2S
Molecular Weight299.97 g/mol
Exact Mass297.83
IUPAC Name5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(Br)c2c1OCCO2
InChIInChI=1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKeyFHMRWRBNAIDRAP-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.97
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 3834570) is 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1sc(Br)c2c1OCCO2.
What is the InChIKey of 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is FHMRWRBNAIDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2.
What are the key properties of 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 299.97 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 3834570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).