5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide

C12H6O2S4 — CID 102414086

IUPAC5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide
SMILESO=S1(=O)C(c2cc3sccc3s2)=Cc2sccc21
InChIInChI=1S/C12H6O2S4/c13-18(14)11-2-4-16-9(11)6-12(18)10-5-8-7(17-10)1-3-15-8/h1-6H
InChIKeyZTOGGSYBZFGDOP-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.31
Rot. Bonds1

About 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide

5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide (PubChem CID 102414086) has the molecular formula C12H6O2S4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide.

Molecular Properties

Compound Name5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide
PubChem CID102414086
Molecular FormulaC12H6O2S4
Molecular Weight310.45 g/mol
Exact Mass309.93
IUPAC Name5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide
SMILESO=S1(=O)C(c2cc3sccc3s2)=Cc2sccc21
InChIInChI=1S/C12H6O2S4/c13-18(14)11-2-4-16-9(11)6-12(18)10-5-8-7(17-10)1-3-15-8/h1-6H
InChIKeyZTOGGSYBZFGDOP-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide?
The IUPAC name of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide (CID 102414086) is 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide.
What is the SMILES notation for 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide?
The canonical SMILES for 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide is O=S1(=O)C(c2cc3sccc3s2)=Cc2sccc21.
What is the InChIKey of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide?
The InChIKey is ZTOGGSYBZFGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O2S4/c13-18(14)11-2-4-16-9(11)6-12(18)10-5-8-7(17-10)1-3-15-8/h1-6H.
What are the key properties of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide?
5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide has a molecular weight of 310.45 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 4,4-dioxide is sourced from PubChem (CID 102414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).