beta-Phenylthioethyl acetate
TL;DR: beta-Phenylthioethyl acetate (CAS 20965-30-4) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylethyl acetate
Also Known As: 2-phenylsulfanylethyl Acetate, beta-phenylthioethyl acetate, 2-(Phenylthio)ethyl acetate, 1-acetoxy-2-phenylthioethane, acetic acid,2-phenylsulfanylethanol
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.3418 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 258.8871 |
Chemical Identifiers
| CAS Number | 20965-30-4 |
|---|---|
| SMILES | CC(=O)OCCSC1=CC=CC=C1 |
Product Overview
beta-Phenylthioethyl acetate (CAS 20965-30-4), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-phenylsulfanylethyl acetate.
Chemical Property Profile of beta-Phenylthioethyl acetate
Property Insights of beta-Phenylthioethyl acetate
The XLogP value of 2.3418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Phenylthioethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Phenylthioethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Phenylthioethyl acetate has 0 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 beta-Phenylthioethyl acetate?
The CAS number of beta-Phenylthioethyl acetate is 20965-30-4.
What is the molecular formula of beta-Phenylthioethyl acetate?
The molecular formula of beta-Phenylthioethyl acetate is C10H12O2S.
What is the molecular weight of beta-Phenylthioethyl acetate?
The molecular weight of beta-Phenylthioethyl acetate is 196.06 g/mol.
Where can I buy beta-Phenylthioethyl acetate?
You can request a quote for beta-Phenylthioethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Phenylthioethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for beta-Phenylthioethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.