4-thiophen-3-ylbutanoic acid

C8H10O2S — CID 11041143

IUPAC4-thiophen-3-ylbutanoic acid
SMILESO=C(O)CCCc1ccsc1
InChIInChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10)
InChIKeyQICKSFILIHOSPO-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.16
Rot. Bonds4

About 4-thiophen-3-ylbutanoic acid

4-thiophen-3-ylbutanoic acid (PubChem CID 11041143) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-thiophen-3-ylbutanoic acid.

Molecular Properties

Compound Name4-thiophen-3-ylbutanoic acid
PubChem CID11041143
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-thiophen-3-ylbutanoic acid
SMILESO=C(O)CCCc1ccsc1
InChIInChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10)
InChIKeyQICKSFILIHOSPO-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylbutanoic acid?
The IUPAC name of 4-thiophen-3-ylbutanoic acid (CID 11041143) is 4-thiophen-3-ylbutanoic acid.
What is the SMILES notation for 4-thiophen-3-ylbutanoic acid?
The canonical SMILES for 4-thiophen-3-ylbutanoic acid is O=C(O)CCCc1ccsc1.
What is the InChIKey of 4-thiophen-3-ylbutanoic acid?
The InChIKey is QICKSFILIHOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10).
What are the key properties of 4-thiophen-3-ylbutanoic acid?
4-thiophen-3-ylbutanoic acid has a molecular weight of 170.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylbutanoic acid is sourced from PubChem (CID 11041143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).