3,4-dipropylthiophene-2-carboxylic acid

C11H16O2S — CID 141207034

IUPAC3,4-dipropylthiophene-2-carboxylic acid
SMILESCCCc1csc(C(=O)O)c1CCC
InChIInChI=1S/C11H16O2S/c1-3-5-8-7-14-10(11(12)13)9(8)6-4-2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeySKKWPQKVCHEPPR-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.35
Rot. Bonds5

About 3,4-dipropylthiophene-2-carboxylic acid

3,4-dipropylthiophene-2-carboxylic acid (PubChem CID 141207034) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3,4-dipropylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dipropylthiophene-2-carboxylic acid
PubChem CID141207034
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3,4-dipropylthiophene-2-carboxylic acid
SMILESCCCc1csc(C(=O)O)c1CCC
InChIInChI=1S/C11H16O2S/c1-3-5-8-7-14-10(11(12)13)9(8)6-4-2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeySKKWPQKVCHEPPR-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipropylthiophene-2-carboxylic acid?
The IUPAC name of 3,4-dipropylthiophene-2-carboxylic acid (CID 141207034) is 3,4-dipropylthiophene-2-carboxylic acid.
What is the SMILES notation for 3,4-dipropylthiophene-2-carboxylic acid?
The canonical SMILES for 3,4-dipropylthiophene-2-carboxylic acid is CCCc1csc(C(=O)O)c1CCC.
What is the InChIKey of 3,4-dipropylthiophene-2-carboxylic acid?
The InChIKey is SKKWPQKVCHEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-5-8-7-14-10(11(12)13)9(8)6-4-2/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3,4-dipropylthiophene-2-carboxylic acid?
3,4-dipropylthiophene-2-carboxylic acid has a molecular weight of 212.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropylthiophene-2-carboxylic acid is sourced from PubChem (CID 141207034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).