S-(2-Phenylethyl) ethanethioate
TL;DR: S-(2-Phenylethyl) ethanethioate (CAS 35065-97-5) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-phenylethyl) ethanethioate
Also Known As: S-phenethyl ethanethioate, phenylethyl mercaptoacetate, s-2-phenylethyl thioacetate, S-(2-phenylethyl) ethanethioate, (S)-Phenethyl 2-aminopropanoate
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.5088 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 243.27531 |
Chemical Identifiers
| CAS Number | 35065-97-5 |
|---|---|
| SMILES | CC(=O)SCCC1=CC=CC=C1 |
Product Overview
S-(2-Phenylethyl) ethanethioate (CAS 35065-97-5), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: S-(2-phenylethyl) ethanethioate.
Chemical Property Profile of S-(2-Phenylethyl) ethanethioate
Property Insights of S-(2-Phenylethyl) ethanethioate
The XLogP value of 2.5088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Phenylethyl) ethanethioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-(2-Phenylethyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Phenylethyl) ethanethioate has 0 hydrogen bond donor(s) and 2 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 S-(2-Phenylethyl) ethanethioate?
The CAS number of S-(2-Phenylethyl) ethanethioate is 35065-97-5.
What is the molecular formula of S-(2-Phenylethyl) ethanethioate?
The molecular formula of S-(2-Phenylethyl) ethanethioate is C10H12OS.
What is the molecular weight of S-(2-Phenylethyl) ethanethioate?
The molecular weight of S-(2-Phenylethyl) ethanethioate is 180.06 g/mol.
Where can I buy S-(2-Phenylethyl) ethanethioate?
You can request a quote for S-(2-Phenylethyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Phenylethyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Phenylethyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.