S-phenyl (E)-but-2-enethioate
TL;DR: S-phenyl (E)-but-2-enethioate (CAS 25542-72-7) 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 (E)-but-2-enethioate
Also Known As: S-Phenyl 2-butenethioate, S-phenyl (E)-but-2-enethioate, 2-Butenethioic acid S-phenyl ester, (E)-2-Butenethioic acid S-phenyl ester, (E)-but-2-enethioic acid S-phenyl ester
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.8814 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 277.14987 |
Chemical Identifiers
| CAS Number | 25542-72-7 |
|---|---|
| SMILES | C/C=C/C(=O)SC1=CC=CC=C1 |
Product Overview
S-phenyl (E)-but-2-enethioate (CAS 25542-72-7), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: S-phenyl (E)-but-2-enethioate.
Chemical Property Profile of S-phenyl (E)-but-2-enethioate
Property Insights of S-phenyl (E)-but-2-enethioate
The XLogP value of 2.8814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-phenyl (E)-but-2-enethioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-phenyl (E)-but-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl (E)-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 (E)-but-2-enethioate?
The CAS number of S-phenyl (E)-but-2-enethioate is 25542-72-7.
What is the molecular formula of S-phenyl (E)-but-2-enethioate?
The molecular formula of S-phenyl (E)-but-2-enethioate is C10H10OS.
What is the molecular weight of S-phenyl (E)-but-2-enethioate?
The molecular weight of S-phenyl (E)-but-2-enethioate is 178.05 g/mol.
Where can I buy S-phenyl (E)-but-2-enethioate?
You can request a quote for S-phenyl (E)-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 (E)-but-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl (E)-but-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.