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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
CID 82397438
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
CID 82511811
N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 141226960
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158
6-benzyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylic acid
CID 13072042
spiro[6,7-dihydro-4H-1-benzothiophene-5,1'-cyclopentane]-2-carboxylic acid
CID 114818755
5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
CID 122236295
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 120658273
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 122147908
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286891

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).