2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate
TL;DR: 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate (CAS 21786-62-9) is a chemical compound with molecular formula C9H10BF4NS and molecular weight 251.06 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 tetrafluoroborate
Also Known As: 2,3-dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate, IUPAC: 2,3-dimethylbenzothiazole; Tetrafluoroboron, 2,3-dimethyl-1,3-benzothiazol-3-ium;tetrafluoroborate
| Molecular Formula | C9H10BF4NS |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.33422 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.05632 |
| Heavy Atoms | 16 |
| Complexity | 473.804 |
Chemical Identifiers
| CAS Number | 21786-62-9 |
|---|---|
| SMILES | [B-](F)(F)(F)F.CC1=[N+](C2=CC=CC=C2S1)C |
Product Overview
2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate (CAS 21786-62-9), with molecular formula C9H10BF4NS and molecular weight 251.06 g/mol. IUPAC: 2,3-dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate.
Chemical Property Profile of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate
Property Insights of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate
The XLogP value of 3.33422 indicates that 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.88 Ų, 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate 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 tetrafluoroborate?
The CAS number of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate is 21786-62-9.
What is the molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate?
The molecular formula of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate is C9H10BF4NS.
What is the molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate?
The molecular weight of 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate is 251.06 g/mol.
Where can I buy 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate?
You can request a quote for 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate 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 tetrafluoroborate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-1,3-benzothiazol-3-ium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.