3-(Phenylthio)propanoic acid
TL;DR: 3-(Phenylthio)propanoic acid (CAS 5472-72-0) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanylpropanoic acid
Also Known As: 3-(phenylthio)propanoic acid, 3-(Phenylsulfanyl)propanoic acid, 3-phenylsulfanylpropanoic acid, dioxaphetylbutyrate, Propanoic acid, 3-(phenylthio)-
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 5472-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCC(=O)O |
| InChIKey | IGPROYLOGZTOAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylthio)propanoic acid (CAS 5472-72-0), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 3-phenylsulfanylpropanoic acid.
Chemical Property Profile of 3-(Phenylthio)propanoic acid
Property Insights of 3-(Phenylthio)propanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylthio)propanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylthio)propanoic acid. Following Lipinski's Rule of Five, 3-(Phenylthio)propanoic 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
Frequently Asked Questions
What is the CAS number of 3-(Phenylthio)propanoic acid?
The CAS number of 3-(Phenylthio)propanoic acid is 5472-72-0.
What is the molecular formula of 3-(Phenylthio)propanoic acid?
The molecular formula of 3-(Phenylthio)propanoic acid is C9H10O2S.
What is the molecular weight of 3-(Phenylthio)propanoic acid?
The molecular weight of 3-(Phenylthio)propanoic acid is 182.04 g/mol.
Where can I buy 3-(Phenylthio)propanoic acid?
You can request a quote for 3-(Phenylthio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylthio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.