S-Propyl 3-methylbutanethioate
TL;DR: S-Propyl 3-methylbutanethioate (CAS 2432-58-8) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl 3-methylbutanethioate
Also Known As: S-Propyl 3-methylbutanethioate, S-Propyl 3-methylbutanethioate #, 3-Methylbutanethioic acid S-propyl ester, 3-MethylbutanethioicacidS-propylester, 3-methyl-1-(propylsulfanyl)butan-1-one
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2432-58-8 |
|---|---|
| SMILES | CCCSC(=O)CC(C)C |
| InChIKey | NZRJNGAJWMNREL-UHFFFAOYSA-N |
Product Overview
S-Propyl 3-methylbutanethioate (CAS 2432-58-8), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-propyl 3-methylbutanethioate.
Chemical Property Profile of S-Propyl 3-methylbutanethioate
Property Insights of S-Propyl 3-methylbutanethioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Propyl 3-methylbutanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Propyl 3-methylbutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Propyl 3-methylbutanethioate 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 3-methylbutanethioate?
The CAS number of S-Propyl 3-methylbutanethioate is 2432-58-8.
What is the molecular formula of S-Propyl 3-methylbutanethioate?
The molecular formula of S-Propyl 3-methylbutanethioate is C8H16OS.
What is the molecular weight of S-Propyl 3-methylbutanethioate?
The molecular weight of S-Propyl 3-methylbutanethioate is 160.09 g/mol.
Where can I buy S-Propyl 3-methylbutanethioate?
You can request a quote for S-Propyl 3-methylbutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Propyl 3-methylbutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Propyl 3-methylbutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.