5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid

C9H5ClO2S2 — CID 14113884

IUPAC5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccsc2Cl)s1
InChIInChI=1S/C9H5ClO2S2/c10-8-5(3-4-13-8)6-1-2-7(14-6)9(11)12/h1-4H,(H,11,12)
InChIKeyWAUWILDVRDJQOG-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.83
Rot. Bonds2

About 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid

5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid (PubChem CID 14113884) has the molecular formula C9H5ClO2S2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid
PubChem CID14113884
Molecular FormulaC9H5ClO2S2
Molecular Weight244.72 g/mol
Exact Mass243.94
IUPAC Name5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccsc2Cl)s1
InChIInChI=1S/C9H5ClO2S2/c10-8-5(3-4-13-8)6-1-2-7(14-6)9(11)12/h1-4H,(H,11,12)
InChIKeyWAUWILDVRDJQOG-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid (CID 14113884) is 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ccsc2Cl)s1.
What is the InChIKey of 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid?
The InChIKey is WAUWILDVRDJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO2S2/c10-8-5(3-4-13-8)6-1-2-7(14-6)9(11)12/h1-4H,(H,11,12).
What are the key properties of 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid?
5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid has a molecular weight of 244.72 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 14113884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).