Methyl 2-(butylsulfanyl)acetate
TL;DR: Methyl 2-(butylsulfanyl)acetate (CAS 10309-14-5) 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.
methyl 2-butylsulfanylacetate
Also Known As: Methyl 2-(butylsulfanyl)acetate, methyl 2-butylsulfanylacetate, (Butylthio)acetic acid methyl ester, methyl 2-(butylthio)acetate, Methyl (butylsulfanyl)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 | 10309-14-5 |
|---|---|
| SMILES | CCCCSCC(=O)OC |
| InChIKey | CBNVDXXHRGFAJU-UHFFFAOYSA-N |
Product Overview
Methyl 2-(butylsulfanyl)acetate (CAS 10309-14-5), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: methyl 2-butylsulfanylacetate.
Chemical Property Profile of Methyl 2-(butylsulfanyl)acetate
Property Insights of Methyl 2-(butylsulfanyl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(butylsulfanyl)acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 2-(butylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(butylsulfanyl)acetate 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 Methyl 2-(butylsulfanyl)acetate?
The CAS number of Methyl 2-(butylsulfanyl)acetate is 10309-14-5.
What is the molecular formula of Methyl 2-(butylsulfanyl)acetate?
The molecular formula of Methyl 2-(butylsulfanyl)acetate is C7H14O2S.
What is the molecular weight of Methyl 2-(butylsulfanyl)acetate?
The molecular weight of Methyl 2-(butylsulfanyl)acetate is 162.07 g/mol.
Where can I buy Methyl 2-(butylsulfanyl)acetate?
You can request a quote for Methyl 2-(butylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(butylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(butylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.