S-(2-Methylbutyl) ethanethioate
TL;DR: S-(2-Methylbutyl) ethanethioate (CAS 69078-80-4) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-methylbutyl) ethanethioate
Also Known As: Ethanethioicacid,S- ester, 2-Methylbutyl S-thioacetate, S-(2-Methylbutyl) ethanethioate, S-(2-Methylbutyl) ethanethioate #, Ethanethioic acid, S-(2-methylbutyl) ester
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 69078-80-4 |
|---|---|
| SMILES | CCC(C)CSC(=O)C |
| InChIKey | HASSECJQEKKISI-UHFFFAOYSA-N |
Product Overview
S-(2-Methylbutyl) ethanethioate (CAS 69078-80-4), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: S-(2-methylbutyl) ethanethioate.
Chemical Property Profile of S-(2-Methylbutyl) ethanethioate
Property Insights of S-(2-Methylbutyl) ethanethioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Methylbutyl) ethanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-(2-Methylbutyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Methylbutyl) ethanethioate 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-(2-Methylbutyl) ethanethioate?
The CAS number of S-(2-Methylbutyl) ethanethioate is 69078-80-4.
What is the molecular formula of S-(2-Methylbutyl) ethanethioate?
The molecular formula of S-(2-Methylbutyl) ethanethioate is C7H14OS.
What is the molecular weight of S-(2-Methylbutyl) ethanethioate?
The molecular weight of S-(2-Methylbutyl) ethanethioate is 146.08 g/mol.
Where can I buy S-(2-Methylbutyl) ethanethioate?
You can request a quote for S-(2-Methylbutyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Methylbutyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Methylbutyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.