5-ethyl-4-methylthiophene-2-carboxylic acid

C8H10O2S — CID 3854263

IUPAC5-ethyl-4-methylthiophene-2-carboxylic acid
SMILESCCc1sc(C(=O)O)cc1C
InChIInChI=1S/C8H10O2S/c1-3-6-5(2)4-7(11-6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeySEXVSXHBZYIGMF-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.32
Rot. Bonds2

About 5-ethyl-4-methylthiophene-2-carboxylic acid

5-ethyl-4-methylthiophene-2-carboxylic acid (PubChem CID 3854263) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-ethyl-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-methylthiophene-2-carboxylic acid
PubChem CID3854263
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name5-ethyl-4-methylthiophene-2-carboxylic acid
SMILESCCc1sc(C(=O)O)cc1C
InChIInChI=1S/C8H10O2S/c1-3-6-5(2)4-7(11-6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeySEXVSXHBZYIGMF-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 5-ethyl-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-methylthiophene-2-carboxylic acid (CID 3854263) is 5-ethyl-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-methylthiophene-2-carboxylic acid is CCc1sc(C(=O)O)cc1C.
What is the InChIKey of 5-ethyl-4-methylthiophene-2-carboxylic acid?
The InChIKey is SEXVSXHBZYIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-6-5(2)4-7(11-6)8(9)10/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-4-methylthiophene-2-carboxylic acid?
5-ethyl-4-methylthiophene-2-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 5-ethyl-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 3854263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).