Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester
TL;DR: Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester (CAS 62490-39-5) 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.
methyl (1Z)-N-(butylcarbamoyloxy)ethanimidothioate
Also Known As: Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl 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 | 62490-39-5 |
|---|---|
| SMILES | CCCCNC(=O)O/N=C(/C)\SC |
Product Overview
Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester (CAS 62490-39-5), with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol. IUPAC: methyl (1Z)-N-(butylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester
Property Insights of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester
The XLogP value of 2.2091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester. With a topological polar surface area (TPSA) of 50.69 Ų, Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl 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 Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester?
The CAS number of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester is 62490-39-5.
What is the molecular formula of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester?
The molecular formula of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester is C8H16N2O2S.
What is the molecular weight of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester?
The molecular weight of Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester is 204.09 g/mol.
Where can I buy Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester?
You can request a quote for Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidothioic acid, N-(((butylamino)carbonyl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.