5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C12H8Br2O4S2 — CID 21049574

IUPAC5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2sc(Br)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H8Br2O4S2/c13-11-7-5(15-1-3-17-7)9(19-11)10-6-8(12(14)20-10)18-4-2-16-6/h1-4H2
InChIKeyWHJBQEONBIZKMX-UHFFFAOYSA-N
MW440.13 g/mol
LogP4.54
Rot. Bonds1

About 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 21049574) has the molecular formula C12H8Br2O4S2 and a molecular weight of 440.13 g/mol. Its IUPAC name is 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID21049574
Molecular FormulaC12H8Br2O4S2
Molecular Weight440.13 g/mol
Exact Mass437.82
IUPAC Name5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2sc(Br)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H8Br2O4S2/c13-11-7-5(15-1-3-17-7)9(19-11)10-6-8(12(14)20-10)18-4-2-16-6/h1-4H2
InChIKeyWHJBQEONBIZKMX-UHFFFAOYSA-N
XLogP4.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.13
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 21049574) is 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1sc(-c2sc(Br)c3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is WHJBQEONBIZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O4S2/c13-11-7-5(15-1-3-17-7)9(19-11)10-6-8(12(14)20-10)18-4-2-16-6/h1-4H2.
What are the key properties of 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 440.13 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 21049574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).