5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide

C12H6O2S4 — CID 102414083

IUPAC5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2sc(-c3cc4sccc4s3)cc21
InChIInChI=1S/C12H6O2S4/c13-18(14)4-2-8-12(18)6-11(17-8)10-5-9-7(16-10)1-3-15-9/h1-6H
InChIKeyRCLJSKCDZOCQKA-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.45
Rot. Bonds1

About 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide

5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide (PubChem CID 102414083) 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 1,1-dioxide.

Molecular Properties

Compound Name5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide
PubChem CID102414083
Molecular FormulaC12H6O2S4
Molecular Weight310.45 g/mol
Exact Mass309.93
IUPAC Name5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2sc(-c3cc4sccc4s3)cc21
InChIInChI=1S/C12H6O2S4/c13-18(14)4-2-8-12(18)6-11(17-8)10-5-9-7(16-10)1-3-15-9/h1-6H
InChIKeyRCLJSKCDZOCQKA-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dithieno(3,2-b:2',3'-d)thiophene
CID 137985
2,2'-Bithieno[3,2-b]thiophene
CID 11300423
Dithieno(3,2-b:2',3'-d)thiophene-2-boronic Acid (contains varying amounts of Anhydride)
CID 44629976
Thieno(3,2-b)thiophene-2-sulfonyl chloride
CID 155821947
2,2'-Bithieno[3,2-b]thiophene 1,1,1',1'-tetraoxide
CID 102414084
2,2'-Bithieno[3,2-b]thiophene 1,1-dioxide
CID 102414086
(4,4-Dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane
CID 135070375
Thieno[3,2-b]thiophene, 2-[2,2'-bithiophen]-5-yl-
CID 11174212
4-Thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 11346486
2,5-Di-thiophen-2-yl-thieno(3,2-b)thiophene
CID 11738270
2,2'-Bidithieno[3,2-b:2',3'-d]thiophene
CID 12964106
Thieno[2',3':4,5]thieno[3,2-b]thieno[2,3-d]thiophene
CID 14383681

Frequently Asked Questions

What is the IUPAC name of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide?
The IUPAC name of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide (CID 102414083) is 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide.
What is the SMILES notation for 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide?
The canonical SMILES for 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide is O=S1(=O)C=Cc2sc(-c3cc4sccc4s3)cc21.
What is the InChIKey of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide?
The InChIKey is RCLJSKCDZOCQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O2S4/c13-18(14)4-2-8-12(18)6-11(17-8)10-5-9-7(16-10)1-3-15-9/h1-6H.
What are the key properties of 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide?
5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene 1,1-dioxide has a molecular weight of 310.45 g/mol, XLogP of 4.45, 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 1,1-dioxide is sourced from PubChem (CID 102414083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).