S-Methyl thioacrylate
TL;DR: S-Methyl thioacrylate (CAS 5883-16-9) is a chemical compound with molecular formula C4H6OS and molecular weight 102.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl prop-2-enethioate
Also Known As: S-Methyl thioacrylate, S-methyl prop-2-enethioate, S-Methyl 2-propenethioate, Thioacrylsaeure-methylester, 2-Propenethioic acid, S-methyl ester
| Molecular Formula | C4H6OS |
|---|---|
| Molecular Weight | 102.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.01394 |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 5883-16-9 |
|---|---|
| SMILES | CSC(=O)C=C |
| InChIKey | PSJMMTZCYKGHJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl thioacrylate (CAS 5883-16-9), with molecular formula C4H6OS and molecular weight 102.01 g/mol. IUPAC: S-methyl prop-2-enethioate.
Chemical Property Profile of S-Methyl thioacrylate
Property Insights of S-Methyl thioacrylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl thioacrylate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl thioacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl thioacrylate 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-Methyl thioacrylate?
The CAS number of S-Methyl thioacrylate is 5883-16-9.
What is the molecular formula of S-Methyl thioacrylate?
The molecular formula of S-Methyl thioacrylate is C4H6OS.
What is the molecular weight of S-Methyl thioacrylate?
The molecular weight of S-Methyl thioacrylate is 102.01 g/mol.
Where can I buy S-Methyl thioacrylate?
You can request a quote for S-Methyl thioacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl thioacrylate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl thioacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.