Dimethyl mercaptosuccinate
TL;DR: Dimethyl mercaptosuccinate (CAS 1795-56-8) is a chemical compound with molecular formula C6H10O4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-sulfanylbutanedioate
Also Known As: Dimethyl mercaptosuccinate, Dimethyl thiomalate, Di-Me-meso-Dmsa, DiMeDMSA, dimethyl 2-sulfanylbutanedioate
| Molecular Formula | C6H10O4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.02998 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 1795-56-8 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)S |
| InChIKey | WTRNXHQNTGJCBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl mercaptosuccinate (CAS 1795-56-8), with molecular formula C6H10O4S and molecular weight 178.03 g/mol. IUPAC: dimethyl 2-sulfanylbutanedioate.
Chemical Property Profile of Dimethyl mercaptosuccinate
Property Insights of Dimethyl mercaptosuccinate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl mercaptosuccinate. With a topological polar surface area (TPSA) of 53.6 Ų, Dimethyl mercaptosuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl mercaptosuccinate has 1 hydrogen bond donor(s) and 5 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 Dimethyl mercaptosuccinate?
The CAS number of Dimethyl mercaptosuccinate is 1795-56-8.
What is the molecular formula of Dimethyl mercaptosuccinate?
The molecular formula of Dimethyl mercaptosuccinate is C6H10O4S.
What is the molecular weight of Dimethyl mercaptosuccinate?
The molecular weight of Dimethyl mercaptosuccinate is 178.03 g/mol.
Where can I buy Dimethyl mercaptosuccinate?
You can request a quote for Dimethyl mercaptosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl mercaptosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl mercaptosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.