乙二硫醇
TL;DR: 乙二硫醇 (CAS 540-63-6) is a chemical compound with molecular formula C2H6S2 and molecular weight 93.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二硫醇
ethane-1,2-dithiol
Also Known As: 1,2-ETHANEDITHIOL, Ethane-1,2-dithiol, 1,2-Dimercaptoethane, Dithioglycol, Ethylene mercaptan
| Molecular Formula | C2H6S2 |
|---|---|
| Molecular Weight | 93.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 93.99109 |
| Heavy Atoms | 4 |
| Complexity | 6.0 |
| Melting Point | -41.2 °C |
| Boiling Point | 146 °C at 760 mm Hg |
| Density | 1.123 at 23.5 °C |
| Solubility | Freely soluble in alkalies |
| Vapor Pressure | 5.61 [mmHg] |
| Refractive Index | 1.5589 at 20 °C |
Chemical Identifiers
| CAS Number | 540-63-6 |
|---|---|
| SMILES | C(CS)S |
| InChIKey | VYMPLPIFKRHAAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二硫醇 (CAS 540-63-6), with molecular formula C2H6S2 and molecular weight 93.99 g/mol. IUPAC: ethane-1,2-dithiol.
Chemical Property Profile of 乙二硫醇
Property Insights of 乙二硫醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 乙二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙二硫醇 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 乙二硫醇?
The CAS number of 乙二硫醇 is 540-63-6.
What is the molecular formula of 乙二硫醇?
The molecular formula of 乙二硫醇 is C2H6S2.
What is the molecular weight of 乙二硫醇?
The molecular weight of 乙二硫醇 is 93.99 g/mol.
Where can I buy 乙二硫醇?
You can request a quote for 乙二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 乙二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.