4-ethyl-5-propylthiophene-2-carboxylic acid

C10H14O2S — CID 2113906

IUPAC4-ethyl-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1CC
InChIInChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQIFYZRSSOKPILW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.96
Rot. Bonds4

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

4-ethyl-5-propylthiophene-2-carboxylic acid (PubChem CID 2113906) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-ethyl-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-propylthiophene-2-carboxylic acid
PubChem CID2113906
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-ethyl-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1CC
InChIInChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQIFYZRSSOKPILW-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 4-ethyl-5-propylthiophene-2-carboxylic acid (CID 2113906) is 4-ethyl-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 4-ethyl-5-propylthiophene-2-carboxylic acid is CCCc1sc(C(=O)O)cc1CC.
What is the InChIKey of 4-ethyl-5-propylthiophene-2-carboxylic acid?
The InChIKey is QIFYZRSSOKPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-5-propylthiophene-2-carboxylic acid?
4-ethyl-5-propylthiophene-2-carboxylic acid has a molecular weight of 198.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 2113906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).