2-(2-Thienylcarbonyl)benzoic acid

C12H8O3S — CID 282654

IUPAC2-(thiophene-2-carbonyl)benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)O
InChIInChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15)
InChIKeyKPJANWLDEVDGEA-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-Thienylcarbonyl)benzoic acid

2-(2-Thienylcarbonyl)benzoic acid (PubChem CID 282654) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(thiophene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-Thienylcarbonyl)benzoic acid
PubChem CID282654
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name2-(thiophene-2-carbonyl)benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)O
InChIInChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15)
InChIKeyKPJANWLDEVDGEA-UHFFFAOYSA-N
XLogP2.80
TPSA82.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-Thienylcarbonyl)benzoic acid?
The IUPAC name of 2-(2-Thienylcarbonyl)benzoic acid (CID 282654) is 2-(thiophene-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2-Thienylcarbonyl)benzoic acid?
The canonical SMILES for 2-(2-Thienylcarbonyl)benzoic acid is C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)O.
What is the InChIKey of 2-(2-Thienylcarbonyl)benzoic acid?
The InChIKey is KPJANWLDEVDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15).
What are the key properties of 2-(2-Thienylcarbonyl)benzoic acid?
2-(2-Thienylcarbonyl)benzoic acid has a molecular weight of 232.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Thienylcarbonyl)benzoic acid is sourced from PubChem (CID 282654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).