![[Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate structure](/static/products/8284/82846-52-4.webp)
[Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate
TL;DR: [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate (CAS 82846-52-4) is a chemical compound with molecular formula C10H21N3OS2 and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[tert-butyl(nitroso)amino]methyl N,N-diethylcarbamodithioate
Also Known As: [tert-butyl(nitroso)amino]methyl diethylcarbamodithioate|[tert-butyl(nitroso)amino]methyl N,N-diethylcarbamodithioate|Carbamodithioic acid, diethyl-, ((1,1-dimethylethyl)nitrosoamino)methyl ester|N,N-diethyl-1-[(nitroso-tert-butyl-amino)methylsulfanyl]methanethioamide
| Molecular Formula | C10H21N3OS2 |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.1126 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 82846-52-4 |
|---|---|
| SMILES | CCN(CC)C(=S)SCN(C(C)(C)C)N=O |
| InChIKey | OULXJRMYCHMJDW-UHFFFAOYSA-N |
Product Overview
[Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate (CAS 82846-52-4), with molecular formula C10H21N3OS2 and molecular weight 263.11 g/mol. IUPAC: [tert-butyl(nitroso)amino]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate
Property Insights of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate
The XLogP value of 3.0 indicates that [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate. Following Lipinski's Rule of Five, [Tert-butyl(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 [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate?
The CAS number of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate is 82846-52-4.
What is the molecular formula of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate?
The molecular formula of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate is C10H21N3OS2.
What is the molecular weight of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate?
The molecular weight of [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate is 263.11 g/mol.
Where can I buy [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate?
You can request a quote for [Tert-butyl(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 [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for [Tert-butyl(nitroso)amino]methyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.