Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester
TL;DR: Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester (CAS 19934-12-4) is a chemical compound with molecular formula C6H12N2O2S and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: BAY 78389, AI3-27568, N-((Methylcarbamoyl)oxy)thioacetimidic acid ethyl ester, J2.102.290J, ACETIMIDIC ACID, N-((METHYLCARBAMOYL)OXY)THIO-, ETHYL ESTER
| Molecular Formula | C6H12N2O2S |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.4289 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.06195 |
| Heavy Atoms | 11 |
| Complexity | 158.66127 |
Chemical Identifiers
| CAS Number | 19934-12-4 |
|---|---|
| SMILES | CCS/C(=N/OC(=O)NC)/C |
Product Overview
Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester (CAS 19934-12-4), with molecular formula C6H12N2O2S and molecular weight 176.06 g/mol. IUPAC: ethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester
Property Insights of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester
The XLogP value of 1.4289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester. With a topological polar surface area (TPSA) of 50.69 Ų, Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester 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 Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester?
The CAS number of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester is 19934-12-4.
What is the molecular formula of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester?
The molecular formula of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester is C6H12N2O2S.
What is the molecular weight of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester?
The molecular weight of Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester is 176.06 g/mol.
Where can I buy Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester?
You can request a quote for Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetimidic acid, N-((methylcarbamoyl)oxy)thio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.