Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester
TL;DR: Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester (CAS 82846-53-5) is a chemical compound with molecular formula C9H19N3OS2 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(nitroso)amino]ethyl N,N-diethylcarbamodithioate
Also Known As: Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester, 1-[ethyl(nitroso)amino]ethyl N,N-diethylcarbamodithioate, 1-[Ethyl(nitroso)amino]ethyl diethylcarbamodithioate, CARBAMIC ACID, DIETHYLDITHIO-, 1-(ETHYLNITROSAMINO)ETHYL ESTER, {1-[(DIETHYLCARBAMOTHIOYL)SULFANYL]ETHYL}(ETHYL)NITROSOAMINE
| Molecular Formula | C9H19N3OS2 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.09695 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 82846-53-5 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C)N(CC)N=O |
| InChIKey | XQQHJTPIYCMLQD-UHFFFAOYSA-N |
Product Overview
Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester (CAS 82846-53-5), with molecular formula C9H19N3OS2 and molecular weight 249.10 g/mol. IUPAC: 1-[ethyl(nitroso)amino]ethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester
Property Insights of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester. Following Lipinski's Rule of Five, Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester 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 Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester?
The CAS number of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester is 82846-53-5.
What is the molecular formula of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester?
The molecular formula of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester is C9H19N3OS2.
What is the molecular weight of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester?
The molecular weight of Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester is 249.10 g/mol.
Where can I buy Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester?
You can request a quote for Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.