Acetic acid, 2-(methylthio)-, butyl ester
TL;DR: Acetic acid, 2-(methylthio)-, butyl ester (CAS 67746-25-2) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methylsulfanylacetate
Also Known As: Butyl (methylthio)acetate, n-Butyl 2-methylthioacetate, butyl (methylsulfanyl)acetate, butyl 2-methylsulfanylacetate, Butyl 2-(methylthio)acetate
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 67746-25-2 |
|---|---|
| SMILES | CCCCOC(=O)CSC |
| InChIKey | QXJSYAFLDDZIQI-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(methylthio)-, butyl ester (CAS 67746-25-2), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: butyl 2-methylsulfanylacetate.
Chemical Property Profile of Acetic acid, 2-(methylthio)-, butyl ester
Property Insights of Acetic acid, 2-(methylthio)-, butyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(methylthio)-, butyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, 2-(methylthio)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(methylthio)-, butyl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid, 2-(methylthio)-, butyl ester?
The CAS number of Acetic acid, 2-(methylthio)-, butyl ester is 67746-25-2.
What is the molecular formula of Acetic acid, 2-(methylthio)-, butyl ester?
The molecular formula of Acetic acid, 2-(methylthio)-, butyl ester is C7H14O2S.
What is the molecular weight of Acetic acid, 2-(methylthio)-, butyl ester?
The molecular weight of Acetic acid, 2-(methylthio)-, butyl ester is 162.07 g/mol.
Where can I buy Acetic acid, 2-(methylthio)-, butyl ester?
You can request a quote for Acetic acid, 2-(methylthio)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(methylthio)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(methylthio)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.