Diethyl dimercaptosuccinate
TL;DR: Diethyl dimercaptosuccinate (CAS 17660-58-1) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(sulfanyl)butanedioate
Also Known As: Diethyl dimercaptosuccinate, DEDMS, Diethyl 2,3-dimercaptosuccinate, diethyl 2,2-bis(sulfanyl)butanedioate, diethyl-2,3-dimercaptosuccinic acid
| Molecular Formula | C8H14O4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.03336 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 17660-58-1 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)(S)S |
| InChIKey | JZBUAOFTPQFECC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl dimercaptosuccinate (CAS 17660-58-1), with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol. IUPAC: diethyl 2,2-bis(sulfanyl)butanedioate.
Chemical Property Profile of Diethyl dimercaptosuccinate
Property Insights of Diethyl dimercaptosuccinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl dimercaptosuccinate. With a topological polar surface area (TPSA) of 54.6 Ų, Diethyl dimercaptosuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl dimercaptosuccinate has 2 hydrogen bond donor(s) and 6 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 Diethyl dimercaptosuccinate?
The CAS number of Diethyl dimercaptosuccinate is 17660-58-1.
What is the molecular formula of Diethyl dimercaptosuccinate?
The molecular formula of Diethyl dimercaptosuccinate is C8H14O4S2.
What is the molecular weight of Diethyl dimercaptosuccinate?
The molecular weight of Diethyl dimercaptosuccinate is 238.03 g/mol.
Where can I buy Diethyl dimercaptosuccinate?
You can request a quote for Diethyl dimercaptosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dimercaptosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dimercaptosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.