4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid

C7H6O2S2 — CID 67111556

IUPAC4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CSC2
InChIInChI=1S/C7H6O2S2/c8-7(9)5-1-4-2-10-3-6(4)11-5/h1H,2-3H2,(H,8,9)
InChIKeyRBINIIIGSUWMLQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.19
Rot. Bonds1

About 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid

4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid (PubChem CID 67111556) has the molecular formula C7H6O2S2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid
PubChem CID67111556
Molecular FormulaC7H6O2S2
Molecular Weight186.26 g/mol
Exact Mass185.98
IUPAC Name4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CSC2
InChIInChI=1S/C7H6O2S2/c8-7(9)5-1-4-2-10-3-6(4)11-5/h1H,2-3H2,(H,8,9)
InChIKeyRBINIIIGSUWMLQ-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 770980
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CID 132091077
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CID 255852
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CID 3238334
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CID 2113906
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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid?
The IUPAC name of 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid (CID 67111556) is 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid.
What is the SMILES notation for 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid?
The canonical SMILES for 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid is O=C(O)c1cc2c(s1)CSC2.
What is the InChIKey of 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid?
The InChIKey is RBINIIIGSUWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S2/c8-7(9)5-1-4-2-10-3-6(4)11-5/h1H,2-3H2,(H,8,9).
What are the key properties of 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid?
4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid has a molecular weight of 186.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylic acid is sourced from PubChem (CID 67111556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).