2-thiophen-3-ylacetic acid

C6H6O2S — CID 23404

IUPAC2-thiophen-3-ylacetic acid
SMILESO=C(O)Cc1ccsc1
InChIInChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKeyRCNOGGGBSSVMAS-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.38
Rot. Bonds2

About 2-thiophen-3-ylacetic acid

2-thiophen-3-ylacetic acid (PubChem CID 23404) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-thiophen-3-ylacetic acid
PubChem CID23404
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name2-thiophen-3-ylacetic acid
SMILESO=C(O)Cc1ccsc1
InChIInChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKeyRCNOGGGBSSVMAS-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylacetic acid?
The IUPAC name of 2-thiophen-3-ylacetic acid (CID 23404) is 2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-thiophen-3-ylacetic acid is O=C(O)Cc1ccsc1.
What is the InChIKey of 2-thiophen-3-ylacetic acid?
The InChIKey is RCNOGGGBSSVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8).
What are the key properties of 2-thiophen-3-ylacetic acid?
2-thiophen-3-ylacetic acid has a molecular weight of 142.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylacetic acid is sourced from PubChem (CID 23404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).