5-methyl-2,3-dihydrothiophene-4-carboxylic acid

C6H8O2S — CID 55299782

IUPAC5-methyl-2,3-dihydrothiophene-4-carboxylic acid
SMILESCC1=C(C(=O)O)CCS1
InChIInChI=1S/C6H8O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8)
InChIKeyUBKKIJVHCRFXPZ-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-2,3-dihydrothiophene-4-carboxylic acid

5-methyl-2,3-dihydrothiophene-4-carboxylic acid (PubChem CID 55299782) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrothiophene-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydrothiophene-4-carboxylic acid
PubChem CID55299782
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name5-methyl-2,3-dihydrothiophene-4-carboxylic acid
SMILESCC1=C(C(=O)O)CCS1
InChIInChI=1S/C6H8O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8)
InChIKeyUBKKIJVHCRFXPZ-UHFFFAOYSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrothiophene-4-carboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydrothiophene-4-carboxylic acid (CID 55299782) is 5-methyl-2,3-dihydrothiophene-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydrothiophene-4-carboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydrothiophene-4-carboxylic acid is CC1=C(C(=O)O)CCS1.
What is the InChIKey of 5-methyl-2,3-dihydrothiophene-4-carboxylic acid?
The InChIKey is UBKKIJVHCRFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8).
What are the key properties of 5-methyl-2,3-dihydrothiophene-4-carboxylic acid?
5-methyl-2,3-dihydrothiophene-4-carboxylic acid has a molecular weight of 144.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrothiophene-4-carboxylic acid is sourced from PubChem (CID 55299782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).