6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine

C6H5BrO2S — CID 96607626

IUPAC6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine
SMILESBrc1cc2c(s1)OCCO2
InChIInChI=1S/C6H5BrO2S/c7-5-3-4-6(10-5)9-2-1-8-4/h3H,1-2H2
InChIKeyMLWGIJMPGNXMAI-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.28
Rot. Bonds

About 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine

6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine (PubChem CID 96607626) has the molecular formula C6H5BrO2S and a molecular weight of 221.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine
PubChem CID96607626
Molecular FormulaC6H5BrO2S
Molecular Weight221.07 g/mol
Exact Mass219.92
IUPAC Name6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine
SMILESBrc1cc2c(s1)OCCO2
InChIInChI=1S/C6H5BrO2S/c7-5-3-4-6(10-5)9-2-1-8-4/h3H,1-2H2
InChIKeyMLWGIJMPGNXMAI-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine?
The IUPAC name of 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine (CID 96607626) is 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine.
What is the SMILES notation for 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine?
The canonical SMILES for 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine is Brc1cc2c(s1)OCCO2.
What is the InChIKey of 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine?
The InChIKey is MLWGIJMPGNXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2S/c7-5-3-4-6(10-5)9-2-1-8-4/h3H,1-2H2.
What are the key properties of 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine?
6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine has a molecular weight of 221.07 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydrothieno[2,3-b][1,4]dioxine is sourced from PubChem (CID 96607626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).