Ethyl2-((dimethylcarbamothioyl)thio)acetate
TL;DR: Ethyl2-((dimethylcarbamothioyl)thio)acetate (CAS 20926-50-5) is a chemical compound with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(dimethylcarbamothioylsulfanyl)acetate
Also Known As: NCIOpen2_005103, dimethyl-thiocarbamoyl methyl sulfone, ethyl[(dimethylcarbamothioyl)sulfanyl]acetate, Ethyl2-((dimethylcarbamothioyl)thio)acetate, Ethyl 2-((dimethylcarbamothioyl)thio)acetate
| Molecular Formula | C7H13NO2S2 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.03877 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 20926-50-5 |
|---|---|
| SMILES | CCOC(=O)CSC(=S)N(C)C |
| InChIKey | ATPHMKMRECAICC-UHFFFAOYSA-N |
Product Overview
Ethyl2-((dimethylcarbamothioyl)thio)acetate (CAS 20926-50-5), with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol. IUPAC: ethyl 2-(dimethylcarbamothioylsulfanyl)acetate.
Chemical Property Profile of Ethyl2-((dimethylcarbamothioyl)thio)acetate
Property Insights of Ethyl2-((dimethylcarbamothioyl)thio)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl2-((dimethylcarbamothioyl)thio)acetate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl2-((dimethylcarbamothioyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl2-((dimethylcarbamothioyl)thio)acetate has 0 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 Ethyl2-((dimethylcarbamothioyl)thio)acetate?
The CAS number of Ethyl2-((dimethylcarbamothioyl)thio)acetate is 20926-50-5.
What is the molecular formula of Ethyl2-((dimethylcarbamothioyl)thio)acetate?
The molecular formula of Ethyl2-((dimethylcarbamothioyl)thio)acetate is C7H13NO2S2.
What is the molecular weight of Ethyl2-((dimethylcarbamothioyl)thio)acetate?
The molecular weight of Ethyl2-((dimethylcarbamothioyl)thio)acetate is 207.04 g/mol.
Where can I buy Ethyl2-((dimethylcarbamothioyl)thio)acetate?
You can request a quote for Ethyl2-((dimethylcarbamothioyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl2-((dimethylcarbamothioyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl2-((dimethylcarbamothioyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.