![[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate structure](/static/products/899/89964-93-2.png)
[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
TL;DR: [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate (CAS 89964-93-2) is a chemical compound with molecular formula C18H28N2S4 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
Also Known As: p-Xylylenebis(N,N-diethyldithiocarbamate), CKESHWQHGBKZBB-UHFFFAOYSA, CKESHWQHGBKZBB-UHFFFAOYSA-, 1,4-Phenylenebis(methylene) bis(diethylcarbamodithioate), p-xylylene bis(n,n-diethyldithiocarbamate)
| Molecular Formula | C18H28N2S4 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.11353 |
| Heavy Atoms | 24 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 89964-93-2 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=CC=C(C=C1)CSC(=S)N(CC)CC |
| InChIKey | CKESHWQHGBKZBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate (CAS 89964-93-2), with molecular formula C18H28N2S4 and molecular weight 400.11 g/mol. IUPAC: [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
Property Insights of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
The XLogP value of 5.1 indicates that [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate?
The CAS number of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate is 89964-93-2.
What is the molecular formula of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate?
The molecular formula of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate is C18H28N2S4.
What is the molecular weight of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate?
The molecular weight of [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate is 400.11 g/mol.
Where can I buy [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate?
You can request a quote for [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl 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-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.