S-propyl thioacetate
TL;DR: S-propyl thioacetate (CAS 2307-10-0) 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-propyl ethanethioate
Also Known As: S-Propyl thioacetate, S-Propyl ethanethioate, Propyl thioacetate, Propyl thiolacetate, S-N-PROPYL THIOACETATE
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.6 |
| 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 | 137.00 to 139.00 °C. @ 760.00 mm Hg |
| Density | 0.953-0.959 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| Refractive Index | 1.457-1.463 |
Chemical Identifiers
| CAS Number | 2307-10-0 |
|---|---|
| SMILES | CCCSC(=O)C |
| InChIKey | SBWFWBJCYMBZEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-propyl thioacetate (CAS 2307-10-0), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: S-propyl ethanethioate.
Chemical Property Profile of S-propyl thioacetate
Property Insights of S-propyl thioacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-propyl thioacetate. With a topological polar surface area (TPSA) of 42.4 Ų, S-propyl thioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-propyl thioacetate 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-propyl thioacetate?
The CAS number of S-propyl thioacetate is 2307-10-0.
What is the molecular formula of S-propyl thioacetate?
The molecular formula of S-propyl thioacetate is C5H10OS.
What is the molecular weight of S-propyl thioacetate?
The molecular weight of S-propyl thioacetate is 118.05 g/mol.
Where can I buy S-propyl thioacetate?
You can request a quote for S-propyl thioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-propyl thioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-propyl thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.