1-Methyl-1,4-dithian-1-ium
TL;DR: 1-Methyl-1,4-dithian-1-ium (CAS 5179-85-1) is a chemical compound with molecular formula C5H11S2+ and molecular weight 135.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,4-dithian-1-ium
Also Known As: 1-methyl-1,4-dithian-1-ium, 1-methyl-4-thia-1-thioniacyclohexane, 1-Methyl-1-thionia-4-thiacyclohexane, J3.422.506K
| Molecular Formula | C5H11S2+ |
|---|---|
| Molecular Weight | 135.03 g/mol |
| LogP | 0.9813 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.03021 |
| Heavy Atoms | 7 |
| Complexity | 48.041843 |
Chemical Identifiers
| CAS Number | 5179-85-1 |
|---|---|
| SMILES | C[S+]1CCSCC1 |
Product Overview
1-Methyl-1,4-dithian-1-ium (CAS 5179-85-1), with molecular formula C5H11S2+ and molecular weight 135.03 g/mol. IUPAC: 1-methyl-1,4-dithian-1-ium.
Chemical Property Profile of 1-Methyl-1,4-dithian-1-ium
Property Insights of 1-Methyl-1,4-dithian-1-ium
The XLogP value of 0.9813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,4-dithian-1-ium. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-1,4-dithian-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,4-dithian-1-ium has 0 hydrogen bond donor(s) and 1 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-Methyl-1,4-dithian-1-ium?
The CAS number of 1-Methyl-1,4-dithian-1-ium is 5179-85-1.
What is the molecular formula of 1-Methyl-1,4-dithian-1-ium?
The molecular formula of 1-Methyl-1,4-dithian-1-ium is C5H11S2+.
What is the molecular weight of 1-Methyl-1,4-dithian-1-ium?
The molecular weight of 1-Methyl-1,4-dithian-1-ium is 135.03 g/mol.
Where can I buy 1-Methyl-1,4-dithian-1-ium?
You can request a quote for 1-Methyl-1,4-dithian-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-Methyl-1,4-dithian-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,4-dithian-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.