5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide

C12H6O4S4 — CID 102414084

IUPAC5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide
SMILESO=S1(=O)C(C2=Cc3sccc3S2(=O)=O)=Cc2sccc21
InChIInChI=1S/C12H6O4S4/c13-19(14)9-1-3-17-7(9)5-11(19)12-6-8-10(2-4-18-8)20(12,15)16/h1-6H
InChIKeyNYLKUNFQUMZXCZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds1

About 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide

5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide (PubChem CID 102414084) has the molecular formula C12H6O4S4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide.

Molecular Properties

Compound Name5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide
PubChem CID102414084
Molecular FormulaC12H6O4S4
Molecular Weight342.44 g/mol
Exact Mass341.91
IUPAC Name5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide
SMILESO=S1(=O)C(C2=Cc3sccc3S2(=O)=O)=Cc2sccc21
InChIInChI=1S/C12H6O4S4/c13-19(14)9-1-3-17-7(9)5-11(19)12-6-8-10(2-4-18-8)20(12,15)16/h1-6H
InChIKeyNYLKUNFQUMZXCZ-UHFFFAOYSA-N
XLogP2.77
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide?
The IUPAC name of 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide (CID 102414084) is 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide.
What is the SMILES notation for 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide?
The canonical SMILES for 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide is O=S1(=O)C(C2=Cc3sccc3S2(=O)=O)=Cc2sccc21.
What is the InChIKey of 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide?
The InChIKey is NYLKUNFQUMZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O4S4/c13-19(14)9-1-3-17-7(9)5-11(19)12-6-8-10(2-4-18-8)20(12,15)16/h1-6H.
What are the key properties of 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide?
5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide has a molecular weight of 342.44 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dioxothieno[3,2-b]thiophen-5-yl)thieno[3,2-b]thiophene 4,4-dioxide is sourced from PubChem (CID 102414084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).