4-(2,5-dichlorothiophen-3-yl)butanoic acid

C8H8Cl2O2S — CID 23434137

IUPAC4-(2,5-dichlorothiophen-3-yl)butanoic acid
SMILESO=C(O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2O2S/c9-6-4-5(8(10)13-6)2-1-3-7(11)12/h4H,1-3H2,(H,11,12)
InChIKeyYVWAQSHXWYMXCF-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.46
Rot. Bonds4

About 4-(2,5-dichlorothiophen-3-yl)butanoic acid

4-(2,5-dichlorothiophen-3-yl)butanoic acid (PubChem CID 23434137) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)butanoic acid
PubChem CID23434137
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name4-(2,5-dichlorothiophen-3-yl)butanoic acid
SMILESO=C(O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2O2S/c9-6-4-5(8(10)13-6)2-1-3-7(11)12/h4H,1-3H2,(H,11,12)
InChIKeyYVWAQSHXWYMXCF-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)butanoic acid?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)butanoic acid (CID 23434137) is 4-(2,5-dichlorothiophen-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)butanoic acid?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)butanoic acid is O=C(O)CCCc1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)butanoic acid?
The InChIKey is YVWAQSHXWYMXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c9-6-4-5(8(10)13-6)2-1-3-7(11)12/h4H,1-3H2,(H,11,12).
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)butanoic acid?
4-(2,5-dichlorothiophen-3-yl)butanoic acid has a molecular weight of 239.12 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)butanoic acid is sourced from PubChem (CID 23434137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).