2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine
TL;DR: 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine (CAS 5201-45-6) is a chemical compound with molecular formula C9H11N2S+ and molecular weight 179.06 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-6-amine
Also Known As: 2,3-dimethylbenzothiazol-6-amine, 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine, 6-Amino-2,3-dimethyl-1,3-benzothiazol-3-ium
| Molecular Formula | C9H11N2S+ |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0643 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 5201-45-6 |
|---|---|
| SMILES | CC1=[N+](C2=C(S1)C=C(C=C2)N)C |
| InChIKey | ZASHNIQXBNKXPR-UHFFFAOYSA-N |
Product Overview
2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine (CAS 5201-45-6), with molecular formula C9H11N2S+ and molecular weight 179.06 g/mol. IUPAC: 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine.
Chemical Property Profile of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine
Property Insights of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine. With a topological polar surface area (TPSA) of 58.1 Ų, 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine has 1 hydrogen bond donor(s) and 2 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-6-amine?
The CAS number of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine is 5201-45-6.
What is the molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine?
The molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine is C9H11N2S+.
What is the molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine?
The molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine is 179.06 g/mol.
Where can I buy 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine?
You can request a quote for 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine 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-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-1,3-benzothiazol-3-ium-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.