2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid

C11H7ClO2S2 — CID 21162474

IUPAC2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1Sc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClO2S2/c12-7-1-3-8(4-2-7)16-11-9(10(13)14)5-6-15-11/h1-6H,(H,13,14)
InChIKeyHGBNUUCVSHICMC-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.25
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid

2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid (PubChem CID 21162474) has the molecular formula C11H7ClO2S2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid
PubChem CID21162474
Molecular FormulaC11H7ClO2S2
Molecular Weight270.76 g/mol
Exact Mass269.96
IUPAC Name2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1Sc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClO2S2/c12-7-1-3-8(4-2-7)16-11-9(10(13)14)5-6-15-11/h1-6H,(H,13,14)
InChIKeyHGBNUUCVSHICMC-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid (CID 21162474) is 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid is O=C(O)c1ccsc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid?
The InChIKey is HGBNUUCVSHICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2S2/c12-7-1-3-8(4-2-7)16-11-9(10(13)14)5-6-15-11/h1-6H,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid?
2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid has a molecular weight of 270.76 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid is sourced from PubChem (CID 21162474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).