N-ethyl-1,3-dithian-2-imine
TL;DR: N-ethyl-1,3-dithian-2-imine (CAS 64067-80-7) is a chemical compound with molecular formula C6H11NS2 and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-1,3-dithian-2-imine
Also Known As: N-ethyl-1,3-dithian-2-imine, Ethanamine,N-1,3-dithian-2-ylidene, Ethanamine,N-1,3-dithian-2-ylidene-
| Molecular Formula | C6H11NS2 |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.0333 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 64067-80-7 |
|---|---|
| SMILES | CCN=C1SCCCS1 |
| InChIKey | XMEYSAAFTIDKQX-UHFFFAOYSA-N |
Product Overview
N-ethyl-1,3-dithian-2-imine (CAS 64067-80-7), with molecular formula C6H11NS2 and molecular weight 161.03 g/mol. IUPAC: N-ethyl-1,3-dithian-2-imine.
Chemical Property Profile of N-ethyl-1,3-dithian-2-imine
Property Insights of N-ethyl-1,3-dithian-2-imine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-1,3-dithian-2-imine. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-1,3-dithian-2-imine. Following Lipinski's Rule of Five, N-ethyl-1,3-dithian-2-imine 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 N-ethyl-1,3-dithian-2-imine?
The CAS number of N-ethyl-1,3-dithian-2-imine is 64067-80-7.
What is the molecular formula of N-ethyl-1,3-dithian-2-imine?
The molecular formula of N-ethyl-1,3-dithian-2-imine is C6H11NS2.
What is the molecular weight of N-ethyl-1,3-dithian-2-imine?
The molecular weight of N-ethyl-1,3-dithian-2-imine is 161.03 g/mol.
Where can I buy N-ethyl-1,3-dithian-2-imine?
You can request a quote for N-ethyl-1,3-dithian-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-1,3-dithian-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-1,3-dithian-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.