4-(Phenylthio)butanoic acid
TL;DR: 4-(Phenylthio)butanoic acid (CAS 17742-51-7) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenylsulfanylbutanoic acid
Also Known As: 4-(phenylthio)butanoic acid, 4-(Phenylsulfanyl)butanoic acid, 4-phenylsulfanylbutanoic acid, Butanoic acid, 4-(phenylthio)-, 4-phenylsulfanyl-butyric acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.0558 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0558 Da |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
| SMILES | C1=CC=C(C=C1)SCCCC(=O)O |
| InChIKey | HHZVQLOVHIDMBD-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Phenylthio)butanoic acid
Property Insights of 4-(Phenylthio)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylthio)butanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenylthio)butanoic acid. Following Lipinski's Rule of Five, 4-(Phenylthio)butanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Phenylthio)butanoic acid?
The CAS number of 4-(Phenylthio)butanoic acid is 17742-51-7.
What is the molecular formula of 4-(Phenylthio)butanoic acid?
The molecular formula of 4-(Phenylthio)butanoic acid is C10H12O2S.
What is the molecular weight of 4-(Phenylthio)butanoic acid?
The molecular weight of 4-(Phenylthio)butanoic acid is 196.0558 g/mol.
Where can I buy 4-(Phenylthio)butanoic acid?
You can request a quote for 4-(Phenylthio)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Phenylthio)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Phenylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.