Methylthiomethyl hexanoate
TL;DR: Methylthiomethyl hexanoate (CAS 74758-91-1) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanylmethyl hexanoate
Also Known As: METHYLTHIOMETHYL HEXANOATE, methylsulfanylmethyl hexanoate, (Methylthio)methyl hexanoate, Methylthiomethylhexanoate, (METHYLSULFANYL)METHYL HEXANOATE
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
| Boiling Point | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| Density | 0.890-0.895 |
| Solubility | very slightly |
| Refractive Index | 1.469-1.476 |
Chemical Identifiers
| CAS Number | 74758-91-1 |
|---|---|
| SMILES | CCCCCC(=O)OCSC |
| InChIKey | NWSZEYNCLKNLMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylthiomethyl hexanoate (CAS 74758-91-1), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: methylsulfanylmethyl hexanoate.
Chemical Property Profile of Methylthiomethyl hexanoate
Property Insights of Methylthiomethyl hexanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiomethyl hexanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Methylthiomethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthiomethyl hexanoate 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 hexanoate?
The CAS number of Methylthiomethyl hexanoate is 74758-91-1.
What is the molecular formula of Methylthiomethyl hexanoate?
The molecular formula of Methylthiomethyl hexanoate is C8H16O2S.
What is the molecular weight of Methylthiomethyl hexanoate?
The molecular weight of Methylthiomethyl hexanoate is 176.09 g/mol.
Where can I buy Methylthiomethyl hexanoate?
You can request a quote for Methylthiomethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiomethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methylthiomethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.