5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid

C8H8O3S — CID 82406699

IUPAC5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)COCC2
InChIInChI=1S/C8H8O3S/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10)
InChIKeyATQZJQVZQHPLOO-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.52
Rot. Bonds1

About 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid

5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid (PubChem CID 82406699) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
PubChem CID82406699
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)COCC2
InChIInChI=1S/C8H8O3S/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10)
InChIKeyATQZJQVZQHPLOO-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid?
The IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid (CID 82406699) is 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid.
What is the SMILES notation for 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid?
The canonical SMILES for 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid is O=C(O)c1cc2c(s1)COCC2.
What is the InChIKey of 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid?
The InChIKey is ATQZJQVZQHPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10).
What are the key properties of 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid?
5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid is sourced from PubChem (CID 82406699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).