Dithiaoctanediol
TL;DR: Dithiaoctanediol (CAS 5244-34-8) is a chemical compound with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
Also Known As: 3,6-Dithia-1,8-octanediol, dithiaoctanediol, Ethylenedithioethanol, 1,2-Bis(2-hydroxyethylthio)ethane, 3,6-Dithiaoctane-1,8-diol
| Molecular Formula | C6H14O2S2 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 182.04352 |
| Heavy Atoms | 10 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 5244-34-8 |
|---|---|
| SMILES | C(CSCCSCCO)O |
| InChIKey | PDHFSBXFZGYBIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiaoctanediol (CAS 5244-34-8), with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol. IUPAC: 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol.
Chemical Property Profile of Dithiaoctanediol
Property Insights of Dithiaoctanediol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiaoctanediol. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiaoctanediol. Following Lipinski's Rule of Five, Dithiaoctanediol has 2 hydrogen bond donor(s) and 4 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 Dithiaoctanediol?
The CAS number of Dithiaoctanediol is 5244-34-8.
What is the molecular formula of Dithiaoctanediol?
The molecular formula of Dithiaoctanediol is C6H14O2S2.
What is the molecular weight of Dithiaoctanediol?
The molecular weight of Dithiaoctanediol is 182.04 g/mol.
Where can I buy Dithiaoctanediol?
You can request a quote for Dithiaoctanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiaoctanediol?
Yes, KEHONG BIO provides custom synthesis services for Dithiaoctanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.