2-propylthiophene-3-carboxylic acid

C8H10O2S — CID 131595068

IUPAC2-propylthiophene-3-carboxylic acid
SMILESCCCc1sccc1C(=O)O
InChIInChI=1S/C8H10O2S/c1-2-3-7-6(8(9)10)4-5-11-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyVKILBBYZGYJBOU-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.40
Rot. Bonds3

About 2-propylthiophene-3-carboxylic acid

2-propylthiophene-3-carboxylic acid (PubChem CID 131595068) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-propylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-propylthiophene-3-carboxylic acid
PubChem CID131595068
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-propylthiophene-3-carboxylic acid
SMILESCCCc1sccc1C(=O)O
InChIInChI=1S/C8H10O2S/c1-2-3-7-6(8(9)10)4-5-11-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyVKILBBYZGYJBOU-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylthiophene-3-carboxylic acid?
The IUPAC name of 2-propylthiophene-3-carboxylic acid (CID 131595068) is 2-propylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-propylthiophene-3-carboxylic acid?
The canonical SMILES for 2-propylthiophene-3-carboxylic acid is CCCc1sccc1C(=O)O.
What is the InChIKey of 2-propylthiophene-3-carboxylic acid?
The InChIKey is VKILBBYZGYJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-3-7-6(8(9)10)4-5-11-7/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-propylthiophene-3-carboxylic acid?
2-propylthiophene-3-carboxylic acid has a molecular weight of 170.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthiophene-3-carboxylic acid is sourced from PubChem (CID 131595068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).