beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
2-(1-benzylsulfanylcyclohexyl)acetic acid
Also Known As: S-Bzl-pmp-OH|AmbotzHAA6020|2-(1-benzylsulfanylcyclohexyl)acetic acid|[1-(benzylsulfanyl)cyclohexyl]acetic acid|KST-1A6903|beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid|2-(1-(Benzylthio)cyclohexyl)acetic acid|ethyl5-tert-butylisoxazole-3-carboxylate|Cyclohexaneacetic acid,1-[(phenylmethyl)thio]-|Cyclohexaneacetic acid, 1-((phenylmethyl)thio)-|1-((Phenylmethyl)thio)-cyclohexaneacetic acid|beta-(s-benzyl)mercapto-beta,beta-cyclopentamethylene propionic acid|BETA-(S-BENZYL)MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENEPROPIONICACID|BETA-BENZYLMERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENEPROPIONIC ACID
| Molecular Formula | C15H20O2S |
|---|---|
| Molecular Weight | 264.1184 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1184 |
| Monoisotopic Mass | 264.1184 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 6337-39-9 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)O)SCC2=CC=CC=C2 |
| InChIKey | ANTCXHQXYRYSLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid (CAS 6337-39-9), with molecular formula C15H20O2S and molecular weight 264.1184 g/mol. IUPAC: 2-(1-benzylsulfanylcyclohexyl)acetic acid.