2-(tert-Dodecylthio)ethanol
TL;DR: 2-(tert-Dodecylthio)ethanol (CAS 64391-41-9) is a chemical compound with molecular formula C14H30OS and molecular weight 246.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylundecan-2-ylsulfanyl)ethanol
Also Known As: 2-(tert-Dodecylthio)ethanol, EINECS 264-861-6, 2-(2-methylundecan-2-ylsulfanyl)ethanol, 2-[(2-Methylundecan-2-yl)sulfanyl]ethan-1-ol, 264-861-6
| Molecular Formula | C14H30OS |
|---|---|
| Molecular Weight | 246.20 g/mol |
| LogP | 4.6312 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 246.20174 |
| Heavy Atoms | 16 |
| Complexity | 145.67076 |
Chemical Identifiers
| CAS Number | 64391-41-9 |
|---|---|
| SMILES | CCCCCCCCCC(C)(C)SCCO |
Product Overview
2-(tert-Dodecylthio)ethanol (CAS 64391-41-9), with molecular formula C14H30OS and molecular weight 246.20 g/mol. IUPAC: 2-(2-methylundecan-2-ylsulfanyl)ethanol.
Chemical Property Profile of 2-(tert-Dodecylthio)ethanol
Property Insights of 2-(tert-Dodecylthio)ethanol
The XLogP value of 4.6312 indicates that 2-(tert-Dodecylthio)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 2-(tert-Dodecylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Dodecylthio)ethanol has 1 hydrogen bond donor(s) and 2 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 2-(tert-Dodecylthio)ethanol?
The CAS number of 2-(tert-Dodecylthio)ethanol is 64391-41-9.
What is the molecular formula of 2-(tert-Dodecylthio)ethanol?
The molecular formula of 2-(tert-Dodecylthio)ethanol is C14H30OS.
What is the molecular weight of 2-(tert-Dodecylthio)ethanol?
The molecular weight of 2-(tert-Dodecylthio)ethanol is 246.20 g/mol.
Where can I buy 2-(tert-Dodecylthio)ethanol?
You can request a quote for 2-(tert-Dodecylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Dodecylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Dodecylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.