Methyl N-((propylcarbamoyl)oxy)thioacetimidate
TL;DR: Methyl N-((propylcarbamoyl)oxy)thioacetimidate (CAS 25643-45-2) is a chemical compound with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-(propylcarbamoyloxy)ethanimidothioate
Also Known As: Methyl N-((propylcarbamoyl)oxy)thioacetimidate, methyl N-(propylcarbamoyloxy)ethanimidothioate, Acetimidic acid, N-((propylcarbamoyl)oxy)thio-, methyl ester, Methyl N-[[(propylamino)carbonyl]oxy]ethanimidothioate, Acetimidic acid, N-[(propylcarbamoyl)oxy]thio-, methyl ester
| Molecular Formula | C7H14N2O2S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 1.819 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.0776 |
| Heavy Atoms | 12 |
| Complexity | 170.7893 |
Chemical Identifiers
| CAS Number | 25643-45-2 |
|---|---|
| SMILES | CCCNC(=O)O/N=C(\C)/SC |
Product Overview
Methyl N-((propylcarbamoyl)oxy)thioacetimidate (CAS 25643-45-2), with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol. IUPAC: methyl (1E)-N-(propylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Methyl N-((propylcarbamoyl)oxy)thioacetimidate
Property Insights of Methyl N-((propylcarbamoyl)oxy)thioacetimidate
The XLogP value of 1.819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-((propylcarbamoyl)oxy)thioacetimidate. With a topological polar surface area (TPSA) of 50.69 Ų, Methyl N-((propylcarbamoyl)oxy)thioacetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-((propylcarbamoyl)oxy)thioacetimidate 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 Methyl N-((propylcarbamoyl)oxy)thioacetimidate?
The CAS number of Methyl N-((propylcarbamoyl)oxy)thioacetimidate is 25643-45-2.
What is the molecular formula of Methyl N-((propylcarbamoyl)oxy)thioacetimidate?
The molecular formula of Methyl N-((propylcarbamoyl)oxy)thioacetimidate is C7H14N2O2S.
What is the molecular weight of Methyl N-((propylcarbamoyl)oxy)thioacetimidate?
The molecular weight of Methyl N-((propylcarbamoyl)oxy)thioacetimidate is 190.08 g/mol.
Where can I buy Methyl N-((propylcarbamoyl)oxy)thioacetimidate?
You can request a quote for Methyl N-((propylcarbamoyl)oxy)thioacetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-((propylcarbamoyl)oxy)thioacetimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-((propylcarbamoyl)oxy)thioacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.