Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate
TL;DR: Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate (CAS 77267-61-9) is a chemical compound with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-N-[methyl(phenylsulfanylsulfinyl)carbamoyl]oxyethanimidothioate
Also Known As: Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate, Ethanimidothioic acid, N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)-, methyl ester, S-Methyl N-(N'-methyl-N'-phenylthiosulfinylcarbamoyloxy)thioacetimidate, methyl (1Z)-N-[methyl(phenylsulfanylsulfinyl)carbamoyl]oxyethanimidothioate, RefChem:1084419
| Molecular Formula | C11H14N2O3S3 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.1222 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.01666 |
| Heavy Atoms | 19 |
| Complexity | 479.33356 |
Chemical Identifiers
| CAS Number | 77267-61-9 |
|---|---|
| SMILES | C/C(=N/OC(=O)N(C)S(=O)SC1=CC=CC=C1)/SC |
Product Overview
Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate (CAS 77267-61-9), with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol. IUPAC: methyl (1Z)-N-[methyl(phenylsulfanylsulfinyl)carbamoyl]oxyethanimidothioate.
Chemical Property Profile of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate
Property Insights of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate
The XLogP value of 3.1222 indicates that Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate has 0 hydrogen bond donor(s) and 6 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 N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate?
The CAS number of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate is 77267-61-9.
What is the molecular formula of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate?
The molecular formula of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate is C11H14N2O3S3.
What is the molecular weight of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate?
The molecular weight of Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate is 318.02 g/mol.
Where can I buy Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate?
You can request a quote for Methyl N-(((methyl((phenylthio)sulfinyl)amino)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 Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.