2,2'-Dithiodiethanesulfonic acid
TL;DR: 2,2'-Dithiodiethanesulfonic acid (CAS 45127-11-5) is a chemical compound with molecular formula C4H10O6S4 and molecular weight 281.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
Also Known As: Coenzyme, coenzyme M, Dimesna, 2,2'-Dithiodiethanesulfonic acid, 2,2'-disulfanediyldiethanesulfonic acid
| Molecular Formula | C4H10O6S4 |
|---|---|
| Molecular Weight | 281.94 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.93604 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 45127-11-5 |
|---|---|
| SMILES | C(CS(=O)(=O)O)SSCCS(=O)(=O)O |
| InChIKey | BYUKOOOZTSTOOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Dithiodiethanesulfonic acid (CAS 45127-11-5), with molecular formula C4H10O6S4 and molecular weight 281.94 g/mol. IUPAC: 2-(2-sulfoethyldisulfanyl)ethanesulfonic acid.
Chemical Property Profile of 2,2'-Dithiodiethanesulfonic acid
Property Insights of 2,2'-Dithiodiethanesulfonic acid
The XLogP value of -1.3 indicates that 2,2'-Dithiodiethanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting 2,2'-Dithiodiethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Dithiodiethanesulfonic acid has 2 hydrogen bond donor(s) and 8 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 2,2'-Dithiodiethanesulfonic acid?
The CAS number of 2,2'-Dithiodiethanesulfonic acid is 45127-11-5.
What is the molecular formula of 2,2'-Dithiodiethanesulfonic acid?
The molecular formula of 2,2'-Dithiodiethanesulfonic acid is C4H10O6S4.
What is the molecular weight of 2,2'-Dithiodiethanesulfonic acid?
The molecular weight of 2,2'-Dithiodiethanesulfonic acid is 281.94 g/mol.
Where can I buy 2,2'-Dithiodiethanesulfonic acid?
You can request a quote for 2,2'-Dithiodiethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dithiodiethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dithiodiethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.