5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C10H7BrO2S2 — CID 15488040

IUPAC5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2cccs2)c2c1OCCO2
InChIInChI=1S/C10H7BrO2S2/c11-10-8-7(12-3-4-13-8)9(15-10)6-2-1-5-14-6/h1-2,5H,3-4H2
InChIKeyDKPJQLNPEJBNGQ-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.01
Rot. Bonds1

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

5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15488040) has the molecular formula C10H7BrO2S2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15488040
Molecular FormulaC10H7BrO2S2
Molecular Weight303.20 g/mol
Exact Mass301.91
IUPAC Name5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2cccs2)c2c1OCCO2
InChIInChI=1S/C10H7BrO2S2/c11-10-8-7(12-3-4-13-8)9(15-10)6-2-1-5-14-6/h1-2,5H,3-4H2
InChIKeyDKPJQLNPEJBNGQ-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15488040) is 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1sc(-c2cccs2)c2c1OCCO2.
What is the InChIKey of 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is DKPJQLNPEJBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2/c11-10-8-7(12-3-4-13-8)9(15-10)6-2-1-5-14-6/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 303.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15488040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).