Ethyl N,N-diethylcarbamodithioate
TL;DR: Ethyl N,N-diethylcarbamodithioate (CAS 4740-11-8) is a chemical compound with molecular formula C7H15NS2 and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N-diethylcarbamodithioate
Also Known As: Ethyl diethylcarbamodithioate, Carbamic acid, ethyl ester, Diethyldithiocarbamic acid ethyl ester, Ethyl diethyldithiocarbamate, S-ethyl diethyldithiocarbamate
| Molecular Formula | C7H15NS2 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.06459 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 4740-11-8 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC |
| InChIKey | RKDROQWWHWDICV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N,N-diethylcarbamodithioate (CAS 4740-11-8), with molecular formula C7H15NS2 and molecular weight 177.06 g/mol. IUPAC: ethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Ethyl N,N-diethylcarbamodithioate
Property Insights of Ethyl N,N-diethylcarbamodithioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N,N-diethylcarbamodithioate. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, Ethyl N,N-diethylcarbamodithioate has 0 hydrogen bond donor(s) and 2 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 Ethyl N,N-diethylcarbamodithioate?
The CAS number of Ethyl N,N-diethylcarbamodithioate is 4740-11-8.
What is the molecular formula of Ethyl N,N-diethylcarbamodithioate?
The molecular formula of Ethyl N,N-diethylcarbamodithioate is C7H15NS2.
What is the molecular weight of Ethyl N,N-diethylcarbamodithioate?
The molecular weight of Ethyl N,N-diethylcarbamodithioate is 177.06 g/mol.
Where can I buy Ethyl N,N-diethylcarbamodithioate?
You can request a quote for Ethyl 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 Ethyl N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.