3,4-dimethylthiophene-2-carboxylic acid

C7H8O2S — CID 19961023

IUPAC3,4-dimethylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1C
InChIInChI=1S/C7H8O2S/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9)
InChIKeyRPZBMBIIOOKZMB-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.06
Rot. Bonds1

About 3,4-dimethylthiophene-2-carboxylic acid

3,4-dimethylthiophene-2-carboxylic acid (PubChem CID 19961023) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 3,4-dimethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethylthiophene-2-carboxylic acid
PubChem CID19961023
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name3,4-dimethylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1C
InChIInChI=1S/C7H8O2S/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9)
InChIKeyRPZBMBIIOOKZMB-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthiophene-2-carboxylic acid?
The IUPAC name of 3,4-dimethylthiophene-2-carboxylic acid (CID 19961023) is 3,4-dimethylthiophene-2-carboxylic acid.
What is the SMILES notation for 3,4-dimethylthiophene-2-carboxylic acid?
The canonical SMILES for 3,4-dimethylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1C.
What is the InChIKey of 3,4-dimethylthiophene-2-carboxylic acid?
The InChIKey is RPZBMBIIOOKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9).
What are the key properties of 3,4-dimethylthiophene-2-carboxylic acid?
3,4-dimethylthiophene-2-carboxylic acid has a molecular weight of 156.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiophene-2-carboxylic acid is sourced from PubChem (CID 19961023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).