2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid

C11H6Cl2O3S — CID 21162534

IUPAC2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2O3S/c12-6-1-2-8(13)9(5-6)17-11-7(10(14)15)3-4-16-11/h1-5H,(H,14,15)
InChIKeyGBXFAUFKWMLTJI-UHFFFAOYSA-N
MW289.14 g/mol
LogP4.44
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid

2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid (PubChem CID 21162534) has the molecular formula C11H6Cl2O3S and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid
PubChem CID21162534
Molecular FormulaC11H6Cl2O3S
Molecular Weight289.14 g/mol
Exact Mass287.94
IUPAC Name2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2O3S/c12-6-1-2-8(13)9(5-6)17-11-7(10(14)15)3-4-16-11/h1-5H,(H,14,15)
InChIKeyGBXFAUFKWMLTJI-UHFFFAOYSA-N
XLogP4.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid (CID 21162534) is 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid is O=C(O)c1ccoc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid?
The InChIKey is GBXFAUFKWMLTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O3S/c12-6-1-2-8(13)9(5-6)17-11-7(10(14)15)3-4-16-11/h1-5H,(H,14,15).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid?
2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid has a molecular weight of 289.14 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid is sourced from PubChem (CID 21162534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).