![[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate structure](/static/products/4220/42207-85-2.webp)
[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
TL;DR: [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate (CAS 42207-85-2) is a chemical compound with molecular formula C14H20N4S5 and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
Also Known As: [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate, BRD-K63362894-001-01-0, 4-Cyano-1,2-thiazole-3,5-diyl bis(diethylcarbamodithioate), 4-Cyanoisothiazole-3,5-diyl bis[diethyl(dithiocarbamate)], [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl]
| Molecular Formula | C14H20N4S5 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.02914 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 42207-85-2 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=C(C(=NS1)SC(=S)N(CC)CC)C#N |
| InChIKey | INIMBGNKJIGYPY-UHFFFAOYSA-N |
Product Overview
[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate (CAS 42207-85-2), with molecular formula C14H20N4S5 and molecular weight 404.03 g/mol. IUPAC: [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate.
Chemical Property Profile of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
Property Insights of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
The XLogP value of 4.6 indicates that [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate has 0 hydrogen bond donor(s) and 7 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 [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate?
The CAS number of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate is 42207-85-2.
What is the molecular formula of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate?
The molecular formula of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate is C14H20N4S5.
What is the molecular weight of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate?
The molecular weight of [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate is 404.03 g/mol.
Where can I buy [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate?
You can request a quote for [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.