S-phenyl but-2-enethioate
TL;DR: S-phenyl but-2-enethioate (CAS 70030-50-1) is a chemical compound with molecular formula C10H10OS and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl but-2-enethioate
Also Known As: S-phenyl but-2-enethioate, S-Phenyl 2-butenethioate, S-phenyl (E)-but-2-enethioate, 2-Butenethioic acid, S-phenyl ester, (2E)-
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 70030-50-1 |
|---|---|
| SMILES | CC=CC(=O)SC1=CC=CC=C1 |
| InChIKey | XOCQIEJSAMMAGL-UHFFFAOYSA-N |
Product Overview
S-phenyl but-2-enethioate (CAS 70030-50-1), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: S-phenyl but-2-enethioate.
Chemical Property Profile of S-phenyl but-2-enethioate
Property Insights of S-phenyl but-2-enethioate
The XLogP value of 3.1 indicates that S-phenyl but-2-enethioate 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 but-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl but-2-enethioate 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 but-2-enethioate?
The CAS number of S-phenyl but-2-enethioate is 70030-50-1.
What is the molecular formula of S-phenyl but-2-enethioate?
The molecular formula of S-phenyl but-2-enethioate is C10H10OS.
What is the molecular weight of S-phenyl but-2-enethioate?
The molecular weight of S-phenyl but-2-enethioate is 178.05 g/mol.
Where can I buy S-phenyl but-2-enethioate?
You can request a quote for S-phenyl but-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl but-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl but-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.