6-methylthieno[3,2-b]thiophene-5-carboxylic acid

C8H6O2S2 — CID 901434

IUPAC6-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2ccsc12
InChIInChI=1S/C8H6O2S2/c1-4-6-5(2-3-11-6)12-7(4)8(9)10/h2-3H,1H3,(H,9,10)
InChIKeyIBDGTYDGJDZXII-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.97
Rot. Bonds1

About 6-methylthieno[3,2-b]thiophene-5-carboxylic acid

6-methylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 901434) has the molecular formula C8H6O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-methylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name6-methylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID901434
Molecular FormulaC8H6O2S2
Molecular Weight198.27 g/mol
Exact Mass197.98
IUPAC Name6-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2ccsc12
InChIInChI=1S/C8H6O2S2/c1-4-6-5(2-3-11-6)12-7(4)8(9)10/h2-3H,1H3,(H,9,10)
InChIKeyIBDGTYDGJDZXII-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 6-methylthieno[3,2-b]thiophene-5-carboxylic acid (CID 901434) is 6-methylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 6-methylthieno[3,2-b]thiophene-5-carboxylic acid is Cc1c(C(=O)O)sc2ccsc12.
What is the InChIKey of 6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is IBDGTYDGJDZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2S2/c1-4-6-5(2-3-11-6)12-7(4)8(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
6-methylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 901434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).