5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine

C12H6O4S2 — CID 86224794

IUPAC5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
SMILESC1=COc2c(csc2-c2scc3c2OC=CO3)O1
InChIInChI=1S/C12H6O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h1-6H
InChIKeyXKZSYUVXNIEVIU-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.96
Rot. Bonds1

About 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine

5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine (PubChem CID 86224794) has the molecular formula C12H6O4S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
PubChem CID86224794
Molecular FormulaC12H6O4S2
Molecular Weight278.31 g/mol
Exact Mass277.97
IUPAC Name5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
SMILESC1=COc2c(csc2-c2scc3c2OC=CO3)O1
InChIInChI=1S/C12H6O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h1-6H
InChIKeyXKZSYUVXNIEVIU-UHFFFAOYSA-N
XLogP3.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine (CID 86224794) is 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine is C1=COc2c(csc2-c2scc3c2OC=CO3)O1.
What is the InChIKey of 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine?
The InChIKey is XKZSYUVXNIEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h1-6H.
What are the key properties of 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine?
5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine has a molecular weight of 278.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 86224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).