Diethylene glycol, monothio, S-hexyl
TL;DR: Diethylene glycol, monothio, S-hexyl (CAS 87064-01-5) is a chemical compound with molecular formula C10H22O2S and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hexylsulfanylethoxy)ethanol
Also Known As: Diethylene glycol, monothio, S-hexyl, 2-(2-hexylsulfanylethoxy)ethanol, 2-(2-Hexylthioethoxy)ethanol, 2-(2-hexylthioethoxy)ethan-1-ol, 2-[2-(hexylsulfanyl)ethoxy]ethan-1-ol
| Molecular Formula | C10H22O2S |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 206.13405 |
| Heavy Atoms | 13 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 87064-01-5 |
|---|---|
| SMILES | CCCCCCSCCOCCO |
| InChIKey | RZRAIUMCYHFWCL-UHFFFAOYSA-N |
Product Overview
Diethylene glycol, monothio, S-hexyl (CAS 87064-01-5), with molecular formula C10H22O2S and molecular weight 206.13 g/mol. IUPAC: 2-(2-hexylsulfanylethoxy)ethanol.
Chemical Property Profile of Diethylene glycol, monothio, S-hexyl
Property Insights of Diethylene glycol, monothio, S-hexyl
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylene glycol, monothio, S-hexyl. With a topological polar surface area (TPSA) of 54.8 Ų, Diethylene glycol, monothio, S-hexyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylene glycol, monothio, S-hexyl has 1 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 Diethylene glycol, monothio, S-hexyl?
The CAS number of Diethylene glycol, monothio, S-hexyl is 87064-01-5.
What is the molecular formula of Diethylene glycol, monothio, S-hexyl?
The molecular formula of Diethylene glycol, monothio, S-hexyl is C10H22O2S.
What is the molecular weight of Diethylene glycol, monothio, S-hexyl?
The molecular weight of Diethylene glycol, monothio, S-hexyl is 206.13 g/mol.
Where can I buy Diethylene glycol, monothio, S-hexyl?
You can request a quote for Diethylene glycol, monothio, S-hexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylene glycol, monothio, S-hexyl?
Yes, KEHONG BIO provides custom synthesis services for Diethylene glycol, monothio, S-hexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.