2-Ethyl-3-methyl-1,3-benzothiazol-3-ium
TL;DR: 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium (CAS 46005-85-0) is a chemical compound with molecular formula C10H12NS+ and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-methyl-1,3-benzothiazol-3-ium
Also Known As: 2-ethyl-3-methyl-benzothiazole, 2-Ethyl-3-methylbenzothiazole-3-ium, 2-ethyl-3-methyl-1,3-benzothiazol-3-ium, Benzothiazolium, 2-ethyl-3-methyl- (9CI), J1.286.538D
| Molecular Formula | C10H12NS+ |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 2.2882 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06905 |
| Heavy Atoms | 12 |
| Complexity | 403.13083 |
Chemical Identifiers
| CAS Number | 46005-85-0 |
|---|---|
| SMILES | CCC1=[N+](C2=CC=CC=C2S1)C |
Product Overview
2-Ethyl-3-methyl-1,3-benzothiazol-3-ium (CAS 46005-85-0), with molecular formula C10H12NS+ and molecular weight 178.07 g/mol. IUPAC: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium
Property Insights of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium
The XLogP value of 2.2882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium. With a topological polar surface area (TPSA) of 3.88 Ų, 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-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 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium?
The CAS number of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium is 46005-85-0.
What is the molecular formula of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium?
The molecular formula of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium is C10H12NS+.
What is the molecular weight of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium?
The molecular weight of 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium is 178.07 g/mol.
Where can I buy 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium?
You can request a quote for 2-Ethyl-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 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-methyl-1,3-benzothiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.