Ethyl dithiocarbimidoic acid dimethyl ester
TL;DR: Ethyl dithiocarbimidoic acid dimethyl ester (CAS 116072-47-0) is a chemical compound with molecular formula C5H11NS2 and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-1,1-bis(methylsulfanyl)methanimine
Also Known As: Ethyl dithiocarbimidoic acid dimethyl ester, N-ethyl-1,1-bis(methylsulfanyl)methanimine
| Molecular Formula | C5H11NS2 |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.0333 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 116072-47-0 |
|---|---|
| SMILES | CCN=C(SC)SC |
| InChIKey | XUVXWQRJUHSGQC-UHFFFAOYSA-N |
Product Overview
Ethyl dithiocarbimidoic acid dimethyl ester (CAS 116072-47-0), with molecular formula C5H11NS2 and molecular weight 149.03 g/mol. IUPAC: N-ethyl-1,1-bis(methylsulfanyl)methanimine.
Chemical Property Profile of Ethyl dithiocarbimidoic acid dimethyl ester
Property Insights of Ethyl dithiocarbimidoic acid dimethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl dithiocarbimidoic acid dimethyl ester. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl dithiocarbimidoic acid dimethyl ester. Following Lipinski's Rule of Five, Ethyl dithiocarbimidoic acid dimethyl ester has 0 hydrogen bond donor(s) and 3 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 Ethyl dithiocarbimidoic acid dimethyl ester?
The CAS number of Ethyl dithiocarbimidoic acid dimethyl ester is 116072-47-0.
What is the molecular formula of Ethyl dithiocarbimidoic acid dimethyl ester?
The molecular formula of Ethyl dithiocarbimidoic acid dimethyl ester is C5H11NS2.
What is the molecular weight of Ethyl dithiocarbimidoic acid dimethyl ester?
The molecular weight of Ethyl dithiocarbimidoic acid dimethyl ester is 149.03 g/mol.
Where can I buy Ethyl dithiocarbimidoic acid dimethyl ester?
You can request a quote for Ethyl dithiocarbimidoic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dithiocarbimidoic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dithiocarbimidoic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.