4-cyclohexylsulfanylthiophene-2-carboxylic acid

C11H14O2S2 — CID 79149674

IUPAC4-cyclohexylsulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCCC2)cs1
InChIInChI=1S/C11H14O2S2/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyBEKYTHKJDYLKCZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.87
Rot. Bonds3

About 4-cyclohexylsulfanylthiophene-2-carboxylic acid

4-cyclohexylsulfanylthiophene-2-carboxylic acid (PubChem CID 79149674) has the molecular formula C11H14O2S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-cyclohexylsulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexylsulfanylthiophene-2-carboxylic acid
PubChem CID79149674
Molecular FormulaC11H14O2S2
Molecular Weight242.36 g/mol
Exact Mass242.04
IUPAC Name4-cyclohexylsulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCCC2)cs1
InChIInChI=1S/C11H14O2S2/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyBEKYTHKJDYLKCZ-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-cyclohexylsulfanylthiophene-2-carboxylic acid (CID 79149674) is 4-cyclohexylsulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-cyclohexylsulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-cyclohexylsulfanylthiophene-2-carboxylic acid is O=C(O)c1cc(SC2CCCCC2)cs1.
What is the InChIKey of 4-cyclohexylsulfanylthiophene-2-carboxylic acid?
The InChIKey is BEKYTHKJDYLKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S2/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13).
What are the key properties of 4-cyclohexylsulfanylthiophene-2-carboxylic acid?
4-cyclohexylsulfanylthiophene-2-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79149674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).