Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester
TL;DR: Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester (CAS 17564-90-8) 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.
methyl (1Z)-N-(dimethylcarbamoyloxy)ethanimidothioate
Also Known As: Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester, (1-methylsulfanylethylideneamino) N,N-dimethylcarbamate
| Molecular Formula | C6H12N2O2S |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.381 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06195 |
| Heavy Atoms | 11 |
| Complexity | 167.96523 |
Chemical Identifiers
| CAS Number | 17564-90-8 |
|---|---|
| SMILES | C/C(=N/OC(=O)N(C)C)/SC |
Product Overview
Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester (CAS 17564-90-8), with molecular formula C6H12N2O2S and molecular weight 176.06 g/mol. IUPAC: methyl (1Z)-N-(dimethylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester
Property Insights of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester
The XLogP value of 1.381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester. With a topological polar surface area (TPSA) of 41.9 Ų, Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester has 0 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-((dimethylcarbamoyl)oxy)thio-, methyl ester?
The CAS number of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester is 17564-90-8.
What is the molecular formula of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester?
The molecular formula of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester is C6H12N2O2S.
What is the molecular weight of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester?
The molecular weight of Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester is 176.06 g/mol.
Where can I buy Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester?
You can request a quote for Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl 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-((dimethylcarbamoyl)oxy)thio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.