4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid

C10H12O3S2 — CID 79149754

IUPAC4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCC2O)cs1
InChIInChI=1S/C10H12O3S2/c11-7-2-1-3-8(7)15-6-4-9(10(12)13)14-5-6/h4-5,7-8,11H,1-3H2,(H,12,13)
InChIKeyJJCCHDMDIMCZJE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds3

About 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid

4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid (PubChem CID 79149754) has the molecular formula C10H12O3S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid
PubChem CID79149754
Molecular FormulaC10H12O3S2
Molecular Weight244.34 g/mol
Exact Mass244.02
IUPAC Name4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCC2O)cs1
InChIInChI=1S/C10H12O3S2/c11-7-2-1-3-8(7)15-6-4-9(10(12)13)14-5-6/h4-5,7-8,11H,1-3H2,(H,12,13)
InChIKeyJJCCHDMDIMCZJE-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid (CID 79149754) is 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid is O=C(O)c1cc(SC2CCCC2O)cs1.
What is the InChIKey of 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is JJCCHDMDIMCZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S2/c11-7-2-1-3-8(7)15-6-4-9(10(12)13)14-5-6/h4-5,7-8,11H,1-3H2,(H,12,13).
What are the key properties of 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid?
4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 244.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxycyclopentyl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79149754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).