o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate
TL;DR: o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate (CAS 6299-91-8) is a chemical compound with molecular formula C6H7Cl3O3S2 and molecular weight 295.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-methoxyethyl) (2,2,2-trichloroacetyl)sulfanylmethanethioate
Also Known As: o-(2-methoxyethyl) s-(trichloroacetyl) carbonodithioate, O-(2-Methoxyethyl) S-trichloroacetyl carbonodithioate, O-(2-methoxyethyl) (2,2,2-trichloroacetyl)sulfanylmethanethioate
| Molecular Formula | C6H7Cl3O3S2 |
|---|---|
| Molecular Weight | 295.89 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.89023 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6299-91-8 |
|---|---|
| SMILES | COCCOC(=S)SC(=O)C(Cl)(Cl)Cl |
| InChIKey | UABLFJPXBNUKCW-UHFFFAOYSA-N |
Product Overview
o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate (CAS 6299-91-8), with molecular formula C6H7Cl3O3S2 and molecular weight 295.89 g/mol. IUPAC: O-(2-methoxyethyl) (2,2,2-trichloroacetyl)sulfanylmethanethioate.
Chemical Property Profile of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate
Property Insights of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate
The XLogP value of 3.1 indicates that o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate. Following Lipinski's Rule of Five, o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate has 0 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 o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate?
The CAS number of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate is 6299-91-8.
What is the molecular formula of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate?
The molecular formula of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate is C6H7Cl3O3S2.
What is the molecular weight of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate?
The molecular weight of o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate is 295.89 g/mol.
Where can I buy o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate?
You can request a quote for o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for o-(2-Methoxyethyl) s-(trichloroacetyl) carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.