S-methyl butanethioate
TL;DR: S-methyl butanethioate (CAS 2432-51-1) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl butanethioate
Also Known As: Methyl thiobutyrate, S-Methyl thiobutyrate, S-Methyl butanethioate, Methanethiol butyrate, Methyl thiolbutyrate
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
| Boiling Point | 142.00 to 143.00 °C. @ 757.00 mm Hg |
| Density | 0.960-0.975 |
| Solubility | insoluble in water; miscible in diethyl ether |
| Refractive Index | 1.457-1.469 |
Chemical Identifiers
| CAS Number | 2432-51-1 |
|---|---|
| SMILES | CCCC(=O)SC |
| InChIKey | GRLJIIJNZJVMGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-methyl butanethioate (CAS 2432-51-1), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: S-methyl butanethioate.
Chemical Property Profile of S-methyl butanethioate
Property Insights of S-methyl butanethioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-methyl butanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-methyl butanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl butanethioate 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 butanethioate?
The CAS number of S-methyl butanethioate is 2432-51-1.
What is the molecular formula of S-methyl butanethioate?
The molecular formula of S-methyl butanethioate is C5H10OS.
What is the molecular weight of S-methyl butanethioate?
The molecular weight of S-methyl butanethioate is 118.05 g/mol.
Where can I buy S-methyl butanethioate?
You can request a quote for S-methyl butanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl butanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl butanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.