2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid

C11H8O3S2 — CID 658068

IUPAC2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C11H8O3S2/c12-10(13)6-7-3-4-9(16-7)11(14)8-2-1-5-15-8/h1-5H,6H2,(H,12,13)
InChIKeyGXIVCKLEGLOTPH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.67
Rot. Bonds4

About 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid

2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid (PubChem CID 658068) has the molecular formula C11H8O3S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid
PubChem CID658068
Molecular FormulaC11H8O3S2
Molecular Weight252.32 g/mol
Exact Mass251.99
IUPAC Name2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C11H8O3S2/c12-10(13)6-7-3-4-9(16-7)11(14)8-2-1-5-15-8/h1-5H,6H2,(H,12,13)
InChIKeyGXIVCKLEGLOTPH-UHFFFAOYSA-N
XLogP2.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid (CID 658068) is 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(C(=O)c2cccs2)s1.
What is the InChIKey of 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid?
The InChIKey is GXIVCKLEGLOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S2/c12-10(13)6-7-3-4-9(16-7)11(14)8-2-1-5-15-8/h1-5H,6H2,(H,12,13).
What are the key properties of 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid?
2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid has a molecular weight of 252.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 658068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).