2,3-Dimethyl-1,3-benzothiazol-3-ium
TL;DR: 2,3-Dimethyl-1,3-benzothiazol-3-ium (CAS 40265-71-2) is a chemical compound with molecular formula C9H10NS+ and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-1,3-benzothiazol-3-ium
Also Known As: 2,3-dimethyl-1,3-benzothiazol-3-ium, 2,3-dimethylbenzothiazolium, Maybridge1_007325, 2,3-dimethylbenzothiazole, Benzothiazolium, 2,3-dimethyl-
| Molecular Formula | C9H10NS+ |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.05339 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 40265-71-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2S1)C |
| InChIKey | QBQDROYKEQDPRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethyl-1,3-benzothiazol-3-ium (CAS 40265-71-2), with molecular formula C9H10NS+ and molecular weight 164.05 g/mol. IUPAC: 2,3-dimethyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of 2,3-Dimethyl-1,3-benzothiazol-3-ium
Property Insights of 2,3-Dimethyl-1,3-benzothiazol-3-ium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-1,3-benzothiazol-3-ium. With a topological polar surface area (TPSA) of 32.1 Ų, 2,3-Dimethyl-1,3-benzothiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-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 2,3-Dimethyl-1,3-benzothiazol-3-ium?
The CAS number of 2,3-Dimethyl-1,3-benzothiazol-3-ium is 40265-71-2.
What is the molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium?
The molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium is C9H10NS+.
What is the molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium?
The molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium is 164.05 g/mol.
Where can I buy 2,3-Dimethyl-1,3-benzothiazol-3-ium?
You can request a quote for 2,3-Dimethyl-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 2,3-Dimethyl-1,3-benzothiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-1,3-benzothiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.