thieno[2,3-b]thiophene-5-carboxylic acid

C7H4O2S2 — CID 2739591

IUPACthieno[2,3-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1cc2ccsc2s1
InChIInChI=1S/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9)
InChIKeyJXHSGSLIUHNKRC-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.66
Rot. Bonds1

About thieno[2,3-b]thiophene-5-carboxylic acid

thieno[2,3-b]thiophene-5-carboxylic acid (PubChem CID 2739591) has the molecular formula C7H4O2S2 and a molecular weight of 184.24 g/mol. Its IUPAC name is thieno[2,3-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Namethieno[2,3-b]thiophene-5-carboxylic acid
PubChem CID2739591
Molecular FormulaC7H4O2S2
Molecular Weight184.24 g/mol
Exact Mass183.97
IUPAC Namethieno[2,3-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1cc2ccsc2s1
InChIInChI=1S/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9)
InChIKeyJXHSGSLIUHNKRC-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]thiophene-5-carboxylic acid?
The IUPAC name of thieno[2,3-b]thiophene-5-carboxylic acid (CID 2739591) is thieno[2,3-b]thiophene-5-carboxylic acid.
What is the SMILES notation for thieno[2,3-b]thiophene-5-carboxylic acid?
The canonical SMILES for thieno[2,3-b]thiophene-5-carboxylic acid is O=C(O)c1cc2ccsc2s1.
What is the InChIKey of thieno[2,3-b]thiophene-5-carboxylic acid?
The InChIKey is JXHSGSLIUHNKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9).
What are the key properties of thieno[2,3-b]thiophene-5-carboxylic acid?
thieno[2,3-b]thiophene-5-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 2739591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).