2-thieno[2,3-b]thiophen-5-ylacetic acid

C8H6O2S2 — CID 96759687

IUPAC2-thieno[2,3-b]thiophen-5-ylacetic acid
SMILESO=C(O)Cc1cc2ccsc2s1
InChIInChI=1S/C8H6O2S2/c9-7(10)4-6-3-5-1-2-11-8(5)12-6/h1-3H,4H2,(H,9,10)
InChIKeyOWRKIKJCYJOWEL-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.59
Rot. Bonds2

About 2-thieno[2,3-b]thiophen-5-ylacetic acid

2-thieno[2,3-b]thiophen-5-ylacetic acid (PubChem CID 96759687) has the molecular formula C8H6O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-thieno[2,3-b]thiophen-5-ylacetic acid.

Molecular Properties

Compound Name2-thieno[2,3-b]thiophen-5-ylacetic acid
PubChem CID96759687
Molecular FormulaC8H6O2S2
Molecular Weight198.27 g/mol
Exact Mass197.98
IUPAC Name2-thieno[2,3-b]thiophen-5-ylacetic acid
SMILESO=C(O)Cc1cc2ccsc2s1
InChIInChI=1S/C8H6O2S2/c9-7(10)4-6-3-5-1-2-11-8(5)12-6/h1-3H,4H2,(H,9,10)
InChIKeyOWRKIKJCYJOWEL-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-b]thiophen-5-ylacetic acid?
The IUPAC name of 2-thieno[2,3-b]thiophen-5-ylacetic acid (CID 96759687) is 2-thieno[2,3-b]thiophen-5-ylacetic acid.
What is the SMILES notation for 2-thieno[2,3-b]thiophen-5-ylacetic acid?
The canonical SMILES for 2-thieno[2,3-b]thiophen-5-ylacetic acid is O=C(O)Cc1cc2ccsc2s1.
What is the InChIKey of 2-thieno[2,3-b]thiophen-5-ylacetic acid?
The InChIKey is OWRKIKJCYJOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2S2/c9-7(10)4-6-3-5-1-2-11-8(5)12-6/h1-3H,4H2,(H,9,10).
What are the key properties of 2-thieno[2,3-b]thiophen-5-ylacetic acid?
2-thieno[2,3-b]thiophen-5-ylacetic acid has a molecular weight of 198.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-b]thiophen-5-ylacetic acid is sourced from PubChem (CID 96759687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).