Methyldithioacetate
TL;DR: Methyldithioacetate (CAS 2168-84-5) is a chemical compound with molecular formula C3H6S2 and molecular weight 105.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl ethanedithioate
Also Known As: Methyl dithioacetate, methyl ethanedithioate, Methyldithioacetate, 1-(methylsulfanyl)ethane-1-thione, methyl ethane(dithioate)
| Molecular Formula | C3H6S2 |
|---|---|
| Molecular Weight | 105.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.99109 |
| Heavy Atoms | 5 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 2168-84-5 |
|---|---|
| SMILES | CC(=S)SC |
| InChIKey | PFWSEYMNCOMKDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyldithioacetate (CAS 2168-84-5), with molecular formula C3H6S2 and molecular weight 105.99 g/mol. IUPAC: methyl ethanedithioate.
Chemical Property Profile of Methyldithioacetate
Property Insights of Methyldithioacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyldithioacetate. With a topological polar surface area (TPSA) of 57.4 Ų, Methyldithioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyldithioacetate has 0 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 Methyldithioacetate?
The CAS number of Methyldithioacetate is 2168-84-5.
What is the molecular formula of Methyldithioacetate?
The molecular formula of Methyldithioacetate is C3H6S2.
What is the molecular weight of Methyldithioacetate?
The molecular weight of Methyldithioacetate is 105.99 g/mol.
Where can I buy Methyldithioacetate?
You can request a quote for Methyldithioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyldithioacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyldithioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.