3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride
TL;DR: 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride (CAS 38534-89-3) is a chemical compound with molecular formula C7H13ClN2S2 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-ethyl-5-(methylamino)dithiol-3-ylidene]-methylazanium chloride
Also Known As: 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride, 3,5-Bis(methylamino)-4-ethyl-1,2-dithiol-1-ium chloride, [4-ethyl-5-(methylamino)dithiol-3-ylidene]-methylazanium chloride, 1,2-DITHIOL-1-IUM, 3,5-BIS(METHYLAMINO)-4-ETHYL-, CHLORIDE, (Z)-[4-ethyl-5-(methylamino)dithiol-3-ylidene]-methylazanium chloride
| Molecular Formula | C7H13ClN2S2 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | -2.97 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.02087 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 38534-89-3 |
|---|---|
| SMILES | CCC1=C(SSC1=[NH+]C)NC.[Cl-] |
| InChIKey | COXOOCBUVCPLHJ-UHFFFAOYSA-N |
Product Overview
3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride (CAS 38534-89-3), with molecular formula C7H13ClN2S2 and molecular weight 224.02 g/mol. IUPAC: [4-ethyl-5-(methylamino)dithiol-3-ylidene]-methylazanium chloride.
Chemical Property Profile of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride
Property Insights of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride
The XLogP value of -2.97 indicates that 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride. Following Lipinski's Rule of Five, 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride has 2 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 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride?
The CAS number of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride is 38534-89-3.
What is the molecular formula of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride?
The molecular formula of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride is C7H13ClN2S2.
What is the molecular weight of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride?
The molecular weight of 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride is 224.02 g/mol.
Where can I buy 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride?
You can request a quote for 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylamino)-4-ethyl-1,2-dithiolium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.