1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium
TL;DR: 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium (CAS 78541-63-6) is a chemical compound with molecular formula C10H16NS2+ and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium
Also Known As: J2.204.147I, 2-Piperidino-4,5-dimethyl-1,3-dithiol-2-ylium, 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidinium, 1-(4,5-dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium, 4,5-dimethyl-2-(piperidin-1-yl)-2H-1,3-dithiol-2-ylium
| Molecular Formula | C10H16NS2+ |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.38254 |
| Topological Polar Surface Area | 3.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.07242 |
| Heavy Atoms | 13 |
| Complexity | 328.7468 |
Chemical Identifiers
| CAS Number | 78541-63-6 |
|---|---|
| SMILES | CC1=C(SC(=[N+]2CCCCC2)S1)C |
Product Overview
1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium (CAS 78541-63-6), with molecular formula C10H16NS2+ and molecular weight 214.07 g/mol. IUPAC: 1-(4,5-dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium.
Chemical Property Profile of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium
Property Insights of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium
The XLogP value of 2.38254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium. With a topological polar surface area (TPSA) of 3.01 Ų, 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium has 0 hydrogen bond donor(s) and 2 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 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium?
The CAS number of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium is 78541-63-6.
What is the molecular formula of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium?
The molecular formula of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium is C10H16NS2+.
What is the molecular weight of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium?
The molecular weight of 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium is 214.07 g/mol.
Where can I buy 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium?
You can request a quote for 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.