Methylthiomethyl butyrate
TL;DR: Methylthiomethyl butyrate (CAS 74758-93-3) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanylmethyl butanoate
Also Known As: Methylthiomethyl butyrate, (Methylthio)methyl butyrate, methylsulfanylmethyl butanoate, Methylthiomethylbutyrate, Methyl 2-methylthiobutyrate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.6502 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.127045 |
Chemical Identifiers
| CAS Number | 74758-93-3 |
|---|---|
| SMILES | CCCC(=O)OCSC |
Product Overview
Methylthiomethyl butyrate (CAS 74758-93-3), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: methylsulfanylmethyl butanoate.
Chemical Property Profile of Methylthiomethyl butyrate
Property Insights of Methylthiomethyl butyrate
The XLogP value of 1.6502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiomethyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methylthiomethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthiomethyl butyrate 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 Methylthiomethyl butyrate?
The CAS number of Methylthiomethyl butyrate is 74758-93-3.
What is the molecular formula of Methylthiomethyl butyrate?
The molecular formula of Methylthiomethyl butyrate is C6H12O2S.
What is the molecular weight of Methylthiomethyl butyrate?
The molecular weight of Methylthiomethyl butyrate is 148.06 g/mol.
Where can I buy Methylthiomethyl butyrate?
You can request a quote for Methylthiomethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiomethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Methylthiomethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.