1,8-辛二硫醇
TL;DR: 1,8-辛二硫醇 (CAS 1191-62-4) is a chemical compound with molecular formula C8H18S2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-辛二硫醇
octane-1,8-dithiol
Also Known As: 1,8-OCTANEDITHIOL, Octane-1,8-dithiol, 1,8-Dimercaptooctane, Octamethylene dimercaptan, 1,8-Octamethylenedithiol
| Molecular Formula | C8H18S2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.08499 |
| Heavy Atoms | 10 |
| Complexity | 47.0 |
| Melting Point | 0.9 °C |
| Boiling Point | 142.00 °C. @ 30.00 mm Hg |
| Density | 0.962 (d20/4) |
| Solubility | insoluble in water; miscible in oil |
| Refractive Index | 1.503-1.504 |
Chemical Identifiers
| CAS Number | 1191-62-4 |
|---|---|
| SMILES | C(CCCCS)CCCS |
| InChIKey | PGTWZHXOSWQKCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-辛二硫醇 (CAS 1191-62-4), with molecular formula C8H18S2 and molecular weight 178.08 g/mol. IUPAC: octane-1,8-dithiol.
Chemical Property Profile of 1,8-辛二硫醇
Property Insights of 1,8-辛二硫醇
The XLogP value of 3.3 indicates that 1,8-辛二硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 1,8-辛二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-辛二硫醇 has 2 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 1,8-辛二硫醇?
The CAS number of 1,8-辛二硫醇 is 1191-62-4.
What is the molecular formula of 1,8-辛二硫醇?
The molecular formula of 1,8-辛二硫醇 is C8H18S2.
What is the molecular weight of 1,8-辛二硫醇?
The molecular weight of 1,8-辛二硫醇 is 178.08 g/mol.
Where can I buy 1,8-辛二硫醇?
You can request a quote for 1,8-辛二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-辛二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1,8-辛二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.