2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid

C12H12Cl2O2S — CID 55182248

IUPAC2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O2S/c13-7-4-5-9(14)11(6-7)17-10-3-1-2-8(10)12(15)16/h4-6,8,10H,1-3H2,(H,15,16)
InChIKeyZAOYMAZBQYQZRY-UHFFFAOYSA-N
MW291.20 g/mol
LogP4.34
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid

2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 55182248) has the molecular formula C12H12Cl2O2S and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID55182248
Molecular FormulaC12H12Cl2O2S
Molecular Weight291.20 g/mol
Exact Mass289.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O2S/c13-7-4-5-9(14)11(6-7)17-10-3-1-2-8(10)12(15)16/h4-6,8,10H,1-3H2,(H,15,16)
InChIKeyZAOYMAZBQYQZRY-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid (CID 55182248) is 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is ZAOYMAZBQYQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2S/c13-7-4-5-9(14)11(6-7)17-10-3-1-2-8(10)12(15)16/h4-6,8,10H,1-3H2,(H,15,16).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid?
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 291.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 55182248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).