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

C12H9BrO4S2 — CID 102593474

IUPAC5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H9BrO4S2/c13-12-9-8(16-3-4-17-9)11(19-12)10-7-6(5-18-10)14-1-2-15-7/h5H,1-4H2
InChIKeyHYLMQIPXWAIICD-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.78
Rot. Bonds1

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

5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 102593474) has the molecular formula C12H9BrO4S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID102593474
Molecular FormulaC12H9BrO4S2
Molecular Weight361.24 g/mol
Exact Mass359.91
IUPAC Name5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C12H9BrO4S2/c13-12-9-8(16-3-4-17-9)11(19-12)10-7-6(5-18-10)14-1-2-15-7/h5H,1-4H2
InChIKeyHYLMQIPXWAIICD-UHFFFAOYSA-N
XLogP3.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 3761770
7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 21049574
5-Bromo-7-[(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59591619
5-Thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
CID 86224794
3-Fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 71273597
5-[3,4-Bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 87197724
5-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 89322252
5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 135144251
5-Bromo-7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 15488040
5-(3-Bromothiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 102576628
5-Hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122375705
5-(2,3,5,7-Tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 11652122

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 102593474) is 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Brc1sc(-c2scc3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is HYLMQIPXWAIICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO4S2/c13-12-9-8(16-3-4-17-9)11(19-12)10-7-6(5-18-10)14-1-2-15-7/h5H,1-4H2.
What are the key properties of 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 361.24 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 102593474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).