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

C8H8O2S2 — CID 82397438

IUPAC5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CSCC2
InChIInChI=1S/C8H8O2S2/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10)
InChIKeyFIYBUOIFRVLKPS-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.24
Rot. Bonds1

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

5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid (PubChem CID 82397438) has the molecular formula C8H8O2S2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
PubChem CID82397438
Molecular FormulaC8H8O2S2
Molecular Weight200.28 g/mol
Exact Mass200.00
IUPAC Name5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CSCC2
InChIInChI=1S/C8H8O2S2/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10)
InChIKeyFIYBUOIFRVLKPS-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
CID 82406699
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
2-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-phenylethanone
CID 81261553
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
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
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81268142
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 81268002

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid?
The IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid (CID 82397438) is 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid.
What is the SMILES notation for 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid?
The canonical SMILES for 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid is O=C(O)c1cc2c(s1)CSCC2.
What is the InChIKey of 5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid?
The InChIKey is FIYBUOIFRVLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S2/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]thiopyran-2-carboxylic acid?
5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 2.24, 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]thiopyran-2-carboxylic acid is sourced from PubChem (CID 82397438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).