3-Methylthiazolium ion
TL;DR: 3-Methylthiazolium ion (CAS 693-99-2) is a chemical compound with molecular formula C4H6NS+ and molecular weight 100.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,3-thiazol-3-ium
Also Known As: 3-Methylthiazolium, 3-METHYLTHIAZOLIUM ION, Thiazolium, 3-methyl-, 3-methyl-1,3-thiazol-3-ium, 3-methylthiazol-3-ium
| Molecular Formula | C4H6NS+ |
|---|---|
| Molecular Weight | 100.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.022095 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 693-99-2 |
|---|---|
| SMILES | C[N+]1=CSC=C1 |
| InChIKey | PIDRHKDECUFWTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylthiazolium ion (CAS 693-99-2), with molecular formula C4H6NS+ and molecular weight 100.02 g/mol. IUPAC: 3-methyl-1,3-thiazol-3-ium.
Chemical Property Profile of 3-Methylthiazolium ion
Property Insights of 3-Methylthiazolium ion
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthiazolium ion. With a topological polar surface area (TPSA) of 32.1 Ų, 3-Methylthiazolium ion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylthiazolium ion 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 3-Methylthiazolium ion?
The CAS number of 3-Methylthiazolium ion is 693-99-2.
What is the molecular formula of 3-Methylthiazolium ion?
The molecular formula of 3-Methylthiazolium ion is C4H6NS+.
What is the molecular weight of 3-Methylthiazolium ion?
The molecular weight of 3-Methylthiazolium ion is 100.02 g/mol.
Where can I buy 3-Methylthiazolium ion?
You can request a quote for 3-Methylthiazolium ion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthiazolium ion?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthiazolium ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.