[(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl
TL;DR: [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl (CAS 71108-21-9) is a chemical compound with molecular formula C11H9Cl3N4O2S3 and molecular weight 429.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino] N-methyl-N-(trichloromethylsulfanyl)carbamate
Also Known As: [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl
| Molecular Formula | C11H9Cl3N4O2S3 |
|---|---|
| Molecular Weight | 429.90 g/mol |
| LogP | 4.86156 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.89532 |
| Heavy Atoms | 23 |
| Complexity | 630.3728 |
Chemical Identifiers
| CAS Number | 71108-21-9 |
|---|---|
| SMILES | CC1(C(=NOC(=O)N(C)SC(Cl)(Cl)Cl)SC(=C(C#N)C#N)S1)C |
Product Overview
[(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl (CAS 71108-21-9), with molecular formula C11H9Cl3N4O2S3 and molecular weight 429.90 g/mol. IUPAC: [[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino] N-methyl-N-(trichloromethylsulfanyl)carbamate.
Chemical Property Profile of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl
Property Insights of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl
The XLogP value of 4.86156 indicates that [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl. Following Lipinski's Rule of Five, [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl has 0 hydrogen bond donor(s) and 8 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 [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl?
The CAS number of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl is 71108-21-9.
What is the molecular formula of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl?
The molecular formula of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl is C11H9Cl3N4O2S3.
What is the molecular weight of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl?
The molecular weight of [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl is 429.90 g/mol.
Where can I buy [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl?
You can request a quote for [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-yl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.