S-Benzyl 3-phenylpropanethioate
TL;DR: S-Benzyl 3-phenylpropanethioate (CAS 133535-77-0) is a chemical compound with molecular formula C16H16OS and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl 3-phenylpropanethioate
Also Known As: S-Benzyl 3-phenylpropanethioate, S-Benzyl 3-phenylpropanethioate #, Benzenethiopropionic acid S-benzyl ester, 3-Phenylpropanethioic acid S-benzyl ester, 3-Phenylthiopropanoic acid S-benzyl ester
| Molecular Formula | C16H16OS |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.0922 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 133535-77-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)SCC2=CC=CC=C2 |
| InChIKey | DTXDHGPVHSQLSP-UHFFFAOYSA-N |
Product Overview
S-Benzyl 3-phenylpropanethioate (CAS 133535-77-0), with molecular formula C16H16OS and molecular weight 256.09 g/mol. IUPAC: S-benzyl 3-phenylpropanethioate.
Chemical Property Profile of S-Benzyl 3-phenylpropanethioate
Property Insights of S-Benzyl 3-phenylpropanethioate
The XLogP value of 4.0 indicates that S-Benzyl 3-phenylpropanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Benzyl 3-phenylpropanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzyl 3-phenylpropanethioate 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-Benzyl 3-phenylpropanethioate?
The CAS number of S-Benzyl 3-phenylpropanethioate is 133535-77-0.
What is the molecular formula of S-Benzyl 3-phenylpropanethioate?
The molecular formula of S-Benzyl 3-phenylpropanethioate is C16H16OS.
What is the molecular weight of S-Benzyl 3-phenylpropanethioate?
The molecular weight of S-Benzyl 3-phenylpropanethioate is 256.09 g/mol.
Where can I buy S-Benzyl 3-phenylpropanethioate?
You can request a quote for S-Benzyl 3-phenylpropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl 3-phenylpropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl 3-phenylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.