S-Methyl propanethioate
TL;DR: S-Methyl propanethioate (CAS 5925-75-7) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl propanethioate
Also Known As: S-Methyl propanethioate, s-methyl thiopropionate, Methyl THIOPROPIONATE, S-Methyl thiopropanoate, METHYLTHIOPROPIONATE
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 5925-75-7 |
|---|---|
| SMILES | CCC(=O)SC |
| InChIKey | AIILTVHCLAEMDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl propanethioate (CAS 5925-75-7), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: S-methyl propanethioate.
Chemical Property Profile of S-Methyl propanethioate
Property Insights of S-Methyl propanethioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl propanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Methyl propanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl propanethioate 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 propanethioate?
The CAS number of S-Methyl propanethioate is 5925-75-7.
What is the molecular formula of S-Methyl propanethioate?
The molecular formula of S-Methyl propanethioate is C4H8OS.
What is the molecular weight of S-Methyl propanethioate?
The molecular weight of S-Methyl propanethioate is 104.03 g/mol.
Where can I buy S-Methyl propanethioate?
You can request a quote for S-Methyl propanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl propanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl propanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.