Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
TL;DR: Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate (CAS 17564-99-7) is a chemical compound with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate, Ethanimidothioic acid, N-(((methylamino)carbonyl)oxy)-, butyl ester
| Molecular Formula | C8H16N2O2S |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 2.2091 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.09325 |
| Heavy Atoms | 13 |
| Complexity | 182.98283 |
Chemical Identifiers
| CAS Number | 17564-99-7 |
|---|---|
| SMILES | CCCCS/C(=N/OC(=O)NC)/C |
Product Overview
Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate (CAS 17564-99-7), with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol. IUPAC: butyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
Property Insights of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
The XLogP value of 2.2091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate. With a topological polar surface area (TPSA) of 50.69 Ų, Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate has 1 hydrogen bond donor(s) and 4 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 Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate?
The CAS number of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate is 17564-99-7.
What is the molecular formula of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate?
The molecular formula of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate is C8H16N2O2S.
What is the molecular weight of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate?
The molecular weight of Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate is 204.09 g/mol.
Where can I buy Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate?
You can request a quote for Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Butyl N-(((methylamino)carbonyl)oxy)ethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.