4-ethyl-5-methylthiophene-3-carboxylic acid

C8H10O2S — CID 3427251

IUPAC4-ethyl-5-methylthiophene-3-carboxylic acid
SMILESCCc1c(C(=O)O)csc1C
InChIInChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyPLGXACUSGWZNKZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.32
Rot. Bonds2

About 4-ethyl-5-methylthiophene-3-carboxylic acid

4-ethyl-5-methylthiophene-3-carboxylic acid (PubChem CID 3427251) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-ethyl-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-methylthiophene-3-carboxylic acid
PubChem CID3427251
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-ethyl-5-methylthiophene-3-carboxylic acid
SMILESCCc1c(C(=O)O)csc1C
InChIInChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyPLGXACUSGWZNKZ-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-methylthiophene-3-carboxylic acid (CID 3427251) is 4-ethyl-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-methylthiophene-3-carboxylic acid is CCc1c(C(=O)O)csc1C.
What is the InChIKey of 4-ethyl-5-methylthiophene-3-carboxylic acid?
The InChIKey is PLGXACUSGWZNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-5-methylthiophene-3-carboxylic acid?
4-ethyl-5-methylthiophene-3-carboxylic acid has a molecular weight of 170.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 3427251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).