S-phenyl thiocinnamate
TL;DR: S-phenyl thiocinnamate (CAS 70030-52-3) is a chemical compound with molecular formula C15H12OS and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 3-phenylprop-2-enethioate
Also Known As: S-phenyl thiocinnamate, S-phenyl 3-phenylprop-2-enethioate, S-phenyl (2E)-3-phenyl-2-propenethioate, 2-Propenethioic acid, 3-phenyl-, S-phenyl ester, (2E)-
| Molecular Formula | C15H12OS |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.06088 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 70030-52-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)SC2=CC=CC=C2 |
| InChIKey | XSLKASMCZXXRNL-UHFFFAOYSA-N |
Product Overview
S-phenyl thiocinnamate (CAS 70030-52-3), with molecular formula C15H12OS and molecular weight 240.06 g/mol. IUPAC: S-phenyl 3-phenylprop-2-enethioate.
Chemical Property Profile of S-phenyl thiocinnamate
Property Insights of S-phenyl thiocinnamate
The XLogP value of 4.3 indicates that S-phenyl thiocinnamate 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-phenyl thiocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl thiocinnamate 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-phenyl thiocinnamate?
The CAS number of S-phenyl thiocinnamate is 70030-52-3.
What is the molecular formula of S-phenyl thiocinnamate?
The molecular formula of S-phenyl thiocinnamate is C15H12OS.
What is the molecular weight of S-phenyl thiocinnamate?
The molecular weight of S-phenyl thiocinnamate is 240.06 g/mol.
Where can I buy S-phenyl thiocinnamate?
You can request a quote for S-phenyl thiocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl thiocinnamate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl thiocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.