2-(2,5-dichlorothiophen-3-yl)acetic acid

C6H4Cl2O2S — CID 68853359

IUPAC2-(2,5-dichlorothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)sc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H,9,10)
InChIKeyJMZXUBICVRRNPV-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.68
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)acetic acid

2-(2,5-dichlorothiophen-3-yl)acetic acid (PubChem CID 68853359) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)acetic acid
PubChem CID68853359
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Name2-(2,5-dichlorothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)sc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H,9,10)
InChIKeyJMZXUBICVRRNPV-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)acetic acid?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)acetic acid (CID 68853359) is 2-(2,5-dichlorothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)acetic acid is O=C(O)Cc1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)acetic acid?
The InChIKey is JMZXUBICVRRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2S/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H,9,10).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)acetic acid?
2-(2,5-dichlorothiophen-3-yl)acetic acid has a molecular weight of 211.07 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)acetic acid is sourced from PubChem (CID 68853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).