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

C20H14O4S4 — CID 15417851

IUPAC5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)sc1-c1ccc(-c2scc3c2OCCO3)s1
InChIInChI=1S/C20H14O4S4/c1-3-15(19-17-11(9-25-19)21-5-7-23-17)27-13(1)14-2-4-16(28-14)20-18-12(10-26-20)22-6-8-24-18/h1-4,9-10H,5-8H2
InChIKeyUXVSMAMAPISATR-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.48
Rot. Bonds3

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

5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15417851) has the molecular formula C20H14O4S4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15417851
Molecular FormulaC20H14O4S4
Molecular Weight446.60 g/mol
Exact Mass445.98
IUPAC Name5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)sc1-c1ccc(-c2scc3c2OCCO3)s1
InChIInChI=1S/C20H14O4S4/c1-3-15(19-17-11(9-25-19)21-5-7-23-17)27-13(1)14-2-4-16(28-14)20-18-12(10-26-20)22-6-8-24-18/h1-4,9-10H,5-8H2
InChIKeyUXVSMAMAPISATR-UHFFFAOYSA-N
XLogP6.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-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-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15417851) is 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1cc(-c2scc3c2OCCO3)sc1-c1ccc(-c2scc3c2OCCO3)s1.
What is the InChIKey of 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is UXVSMAMAPISATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4S4/c1-3-15(19-17-11(9-25-19)21-5-7-23-17)27-13(1)14-2-4-16(28-14)20-18-12(10-26-20)22-6-8-24-18/h1-4,9-10H,5-8H2.
What are the key properties of 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 446.60 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15417851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).