2-(Dimethylamino)ethoxymethanedithioic acid
TL;DR: 2-(Dimethylamino)ethoxymethanedithioic acid (CAS 687967-87-9) is a chemical compound with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethoxymethanedithioic acid
Also Known As: 2-(dimethylamino)ethoxymethanedithioic acid, 2-dimethylaminoethyloxymethanedithioic acid, Carbonodithioicacid,O-[2- ethyl]ester, O-[2-(Dimethylamino)ethyl] hydrogen carbonodithioate, CARBONODITHIOIC ACID O-[2-(DIMETHYLAMINO)ETHYL] ESTER
| Molecular Formula | C5H11NOS2 |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.02821 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 687967-87-9 |
|---|---|
| SMILES | CN(C)CCOC(=S)S |
| InChIKey | TUPIVDPSAJVWKD-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)ethoxymethanedithioic acid (CAS 687967-87-9), with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol. IUPAC: 2-(dimethylamino)ethoxymethanedithioic acid.
Chemical Property Profile of 2-(Dimethylamino)ethoxymethanedithioic acid
Property Insights of 2-(Dimethylamino)ethoxymethanedithioic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethoxymethanedithioic acid. With a topological polar surface area (TPSA) of 45.6 Ų, 2-(Dimethylamino)ethoxymethanedithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethoxymethanedithioic acid has 1 hydrogen bond donor(s) and 4 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-(Dimethylamino)ethoxymethanedithioic acid?
The CAS number of 2-(Dimethylamino)ethoxymethanedithioic acid is 687967-87-9.
What is the molecular formula of 2-(Dimethylamino)ethoxymethanedithioic acid?
The molecular formula of 2-(Dimethylamino)ethoxymethanedithioic acid is C5H11NOS2.
What is the molecular weight of 2-(Dimethylamino)ethoxymethanedithioic acid?
The molecular weight of 2-(Dimethylamino)ethoxymethanedithioic acid is 165.03 g/mol.
Where can I buy 2-(Dimethylamino)ethoxymethanedithioic acid?
You can request a quote for 2-(Dimethylamino)ethoxymethanedithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethoxymethanedithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethoxymethanedithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.