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

C16H12O4S3 — CID 57370586

IUPAC5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)sc1-c1scc2c1OCCO2
InChIInChI=1S/C16H12O4S3/c1-2-12(16-14-10(8-22-16)18-4-6-20-14)23-11(1)15-13-9(7-21-15)17-3-5-19-13/h1-2,7-8H,3-6H2
InChIKeyXLLUGGFGFHVJBV-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.75
Rot. Bonds2

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

5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 57370586) has the molecular formula C16H12O4S3 and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID57370586
Molecular FormulaC16H12O4S3
Molecular Weight364.47 g/mol
Exact Mass363.99
IUPAC Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)sc1-c1scc2c1OCCO2
InChIInChI=1S/C16H12O4S3/c1-2-12(16-14-10(8-22-16)18-4-6-20-14)23-11(1)15-13-9(7-21-15)17-3-5-19-13/h1-2,7-8H,3-6H2
InChIKeyXLLUGGFGFHVJBV-UHFFFAOYSA-N
XLogP4.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-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-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 57370586) is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1cc(-c2scc3c2OCCO3)sc1-c1scc2c1OCCO2.
What is the InChIKey of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is XLLUGGFGFHVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4S3/c1-2-12(16-14-10(8-22-16)18-4-6-20-14)23-11(1)15-13-9(7-21-15)17-3-5-19-13/h1-2,7-8H,3-6H2.
What are the key properties of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 364.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 57370586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).