3-Methyl-1,3-benzothiazol-3-ium
TL;DR: 3-Methyl-1,3-benzothiazol-3-ium (CAS 697-66-5) is a chemical compound with molecular formula C8H8NS+ and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,3-benzothiazol-3-ium
Also Known As: 3-methyl-1,3-benzothiazol-3-ium, benzothiazolium,3-methyl-, Methylbenzothiazolium iodide, 3-Methylbenzothiazol-3-ium, Benzothiazolium, 3-methyl-
| Molecular Formula | C8H8NS+ |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.03775 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 697-66-5 |
|---|---|
| SMILES | C[N+]1=CSC2=CC=CC=C21 |
| InChIKey | UKJRKKQWBUZLPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,3-benzothiazol-3-ium (CAS 697-66-5), with molecular formula C8H8NS+ and molecular weight 150.04 g/mol. IUPAC: 3-methyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of 3-Methyl-1,3-benzothiazol-3-ium
Property Insights of 3-Methyl-1,3-benzothiazol-3-ium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,3-benzothiazol-3-ium. With a topological polar surface area (TPSA) of 32.1 Ų, 3-Methyl-1,3-benzothiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,3-benzothiazol-3-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 3-Methyl-1,3-benzothiazol-3-ium?
The CAS number of 3-Methyl-1,3-benzothiazol-3-ium is 697-66-5.
What is the molecular formula of 3-Methyl-1,3-benzothiazol-3-ium?
The molecular formula of 3-Methyl-1,3-benzothiazol-3-ium is C8H8NS+.
What is the molecular weight of 3-Methyl-1,3-benzothiazol-3-ium?
The molecular weight of 3-Methyl-1,3-benzothiazol-3-ium is 150.04 g/mol.
Where can I buy 3-Methyl-1,3-benzothiazol-3-ium?
You can request a quote for 3-Methyl-1,3-benzothiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,3-benzothiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,3-benzothiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.