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

C7H6O3S — CID 84765754

IUPAC4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid
SMILESO=C(O)c1cc2c(o1)CSC2
InChIInChI=1S/C7H6O3S/c8-7(9)5-1-4-2-11-3-6(4)10-5/h1H,2-3H2,(H,8,9)
InChIKeyCMUZWMXCEJCQNS-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.72
Rot. Bonds1

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

4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid (PubChem CID 84765754) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid
PubChem CID84765754
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid
SMILESO=C(O)c1cc2c(o1)CSC2
InChIInChI=1S/C7H6O3S/c8-7(9)5-1-4-2-11-3-6(4)10-5/h1H,2-3H2,(H,8,9)
InChIKeyCMUZWMXCEJCQNS-UHFFFAOYSA-N
XLogP1.72
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid
CID 173173809
4-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
CID 82409161
4,6-dihydrothieno[3,4-d][1,2]oxazole-3-carboxylic acid
CID 82412161
5-(2,3-dimethylbutan-2-ylsulfanyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxylic acid
CID 143778792
5-methyl-4-sulfanylfuran-2-carboxylic acid
CID 89383113
furan-2,5-dicarboxylic acid;indigane
CID 174700126
4-chloro-5-methoxyfuran-2-carboxylic acid
CID 97035111
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
5,6-dihydro-4H-furo[2,3-e]indole-2-carboxylic acid
CID 96619137
4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
CID 5405803

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid?
The IUPAC name of 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid (CID 84765754) is 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid.
What is the SMILES notation for 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid?
The canonical SMILES for 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid is O=C(O)c1cc2c(o1)CSC2.
What is the InChIKey of 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid?
The InChIKey is CMUZWMXCEJCQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c8-7(9)5-1-4-2-11-3-6(4)10-5/h1H,2-3H2,(H,8,9).
What are the key properties of 4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid?
4,6-dihydrothieno[3,4-b]furan-2-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 1.72, 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]furan-2-carboxylic acid is sourced from PubChem (CID 84765754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).