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[Methyl(nitroso)amino]methyl diethylcarbamodithioate
TL;DR: [Methyl(nitroso)amino]methyl diethylcarbamodithioate (CAS 82846-49-9) is a chemical compound with molecular formula C7H15N3OS2 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methyl(nitroso)amino]methyl N,N-diethylcarbamodithioate
Also Known As: [methyl(nitroso)amino]methyl diethylcarbamodithioate|[methyl(nitroso)amino]methyl N,N-diethylcarbamodithioate|Carbamodithioic acid, diethyl-, (methylnitrosoamino)methyl ester|N,N-diethyl-1-[(methyl-nitroso-amino)methylsulfanyl]methanethioamide
| Molecular Formula | C7H15N3OS2 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.06566 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 82846-49-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SCN(C)N=O |
| InChIKey | UYBNJSPLSVUCDG-UHFFFAOYSA-N |
Product Overview
[Methyl(nitroso)amino]methyl diethylcarbamodithioate (CAS 82846-49-9), with molecular formula C7H15N3OS2 and molecular weight 221.07 g/mol. IUPAC: [methyl(nitroso)amino]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of [Methyl(nitroso)amino]methyl diethylcarbamodithioate
Property Insights of [Methyl(nitroso)amino]methyl diethylcarbamodithioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Methyl(nitroso)amino]methyl diethylcarbamodithioate. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [Methyl(nitroso)amino]methyl diethylcarbamodithioate. Following Lipinski's Rule of Five, [Methyl(nitroso)amino]methyl diethylcarbamodithioate 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 [Methyl(nitroso)amino]methyl diethylcarbamodithioate?
The CAS number of [Methyl(nitroso)amino]methyl diethylcarbamodithioate is 82846-49-9.
What is the molecular formula of [Methyl(nitroso)amino]methyl diethylcarbamodithioate?
The molecular formula of [Methyl(nitroso)amino]methyl diethylcarbamodithioate is C7H15N3OS2.
What is the molecular weight of [Methyl(nitroso)amino]methyl diethylcarbamodithioate?
The molecular weight of [Methyl(nitroso)amino]methyl diethylcarbamodithioate is 221.07 g/mol.
Where can I buy [Methyl(nitroso)amino]methyl diethylcarbamodithioate?
You can request a quote for [Methyl(nitroso)amino]methyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Methyl(nitroso)amino]methyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for [Methyl(nitroso)amino]methyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.