O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate
TL;DR: O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate (CAS 64803-11-8) is a chemical compound with molecular formula C11H12N2O3S3 and molecular weight 316.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate
Also Known As: O-ethyl (NE)-N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-yli, O-ethyl (NZ)-N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate, O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate
| Molecular Formula | C11H12N2O3S3 |
|---|---|
| Molecular Weight | 316.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.001 |
| Heavy Atoms | 19 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 64803-11-8 |
|---|---|
| SMILES | CCOC(=S)N=C1N(S(=O)(=O)CS1)C2=CC=CC=C2 |
| InChIKey | AWPRBGPTPPIOFA-UHFFFAOYSA-N |
Product Overview
O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate (CAS 64803-11-8), with molecular formula C11H12N2O3S3 and molecular weight 316.00 g/mol. IUPAC: O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate.
Chemical Property Profile of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate
Property Insights of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate
The XLogP value of 3.1 indicates that O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate. Following Lipinski's Rule of Five, O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate 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-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate?
The CAS number of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate is 64803-11-8.
What is the molecular formula of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate?
The molecular formula of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate is C11H12N2O3S3.
What is the molecular weight of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate?
The molecular weight of O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate is 316.00 g/mol.
Where can I buy O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate?
You can request a quote for O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl N-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.