S-phenyl 3-hydroxy-3-phenylpropanethioate
TL;DR: S-phenyl 3-hydroxy-3-phenylpropanethioate (CAS 121788-80-5) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-phenyl 3-hydroxy-3-phenylpropanethioate
Also Known As: S-phenyl 3-hydroxy-3-phenylpropanethioate, J2.302.290G, S-Phenyl (betaR)-beta-hydroxybenzenepropanethioate, 3-Hydroxy-3-phenylpropanethioic acid S-phenyl ester, 3-hydroxy-3-phenyl-propanethioic acid S-phenyl ester
Technical Specifications
| Molecular Formula | C15H14O2S |
| Molecular Weight | 258.07144 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07144 Da |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)SC2=CC=CC=C2)O |
| InChIKey | JVPHJSGDIPAMSQ-UHFFFAOYSA-N |
Chemical Property Profile of S-phenyl 3-hydroxy-3-phenylpropanethioate
Property Insights of S-phenyl 3-hydroxy-3-phenylpropanethioate
The XLogP value of 3.0 indicates that S-phenyl 3-hydroxy-3-phenylpropanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-phenyl 3-hydroxy-3-phenylpropanethioate. Following Lipinski's Rule of Five, S-phenyl 3-hydroxy-3-phenylpropanethioate 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 S-phenyl 3-hydroxy-3-phenylpropanethioate?
The CAS number of S-phenyl 3-hydroxy-3-phenylpropanethioate is 121788-80-5.
What is the molecular formula of S-phenyl 3-hydroxy-3-phenylpropanethioate?
The molecular formula of S-phenyl 3-hydroxy-3-phenylpropanethioate is C15H14O2S.
What is the molecular weight of S-phenyl 3-hydroxy-3-phenylpropanethioate?
The molecular weight of S-phenyl 3-hydroxy-3-phenylpropanethioate is 258.07144 g/mol.
Where can I buy S-phenyl 3-hydroxy-3-phenylpropanethioate?
You can request a quote for S-phenyl 3-hydroxy-3-phenylpropanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-phenyl 3-hydroxy-3-phenylpropanethioate?
Yes, CoreyChem provides custom synthesis services for S-phenyl 3-hydroxy-3-phenylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.