Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester
TL;DR: Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester (CAS 81861-96-3) is a chemical compound with molecular formula C16H28N4O9S4 and molecular weight 548.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[methyl-[3-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]-2-prop-2-enoxypropyl]sulfinamoyl]oxycarbonyloxyethanimidothioate
Also Known As: Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester, methyl (1E)-N-[methyl-[3-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]-2-prop-2-enoxypropyl]sulfinamoyl]oxycarbonyloxyethanimidothioate, RefChem:1084409
| Molecular Formula | C16H28N4O9S4 |
|---|---|
| Molecular Weight | 548.07 g/mol |
| LogP | 2.2778 |
| Topological Polar Surface Area | 145.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 548.0739 |
| Heavy Atoms | 33 |
| Complexity | 710.25604 |
Chemical Identifiers
| CAS Number | 81861-96-3 |
|---|---|
| SMILES | C/C(=N\OC(=O)OS(=O)N(C)CC(CN(C)S(=O)OC(=O)O/N=C(/C)\SC)OCC=C)/SC |
Product Overview
Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester (CAS 81861-96-3), with molecular formula C16H28N4O9S4 and molecular weight 548.07 g/mol. IUPAC: methyl (1E)-N-[methyl-[3-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]-2-prop-2-enoxypropyl]sulfinamoyl]oxycarbonyloxyethanimidothioate.
Chemical Property Profile of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester
Property Insights of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester
The XLogP value of 2.2778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester. The TPSA of 145.63 Ų indicates high polarity, suggesting Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester?
The CAS number of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester is 81861-96-3.
What is the molecular formula of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester?
The molecular formula of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester is C16H28N4O9S4.
What is the molecular weight of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester?
The molecular weight of Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester is 548.07 g/mol.
Where can I buy Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester?
You can request a quote for Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl 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,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidothioic acid, N,N'-((2-(2-propenyloxy)-1,3-propanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.