6-Fluoro-2-mercaptobenzothiazole
TL;DR: 6-Fluoro-2-mercaptobenzothiazole (CAS 154327-24-9) is a chemical compound with molecular formula C7H4FNS2 and molecular weight 184.97691 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-fluoro-3H-1,3-benzothiazole-2-thione
Also Known As: 6-Fluoro-2-mercaptobenzothiazole, 6-Fluorobenzo[d]thiazole-2(3H)-thione, 6-Fluoro-benzothiazole-2-thiol, 6-fluorobenzothiazole-2-thiol, 6-Fluoro-1,3-benzothiazole-2-thiol
Technical Specifications
| Molecular Formula | C7H4FNS2 |
| Molecular Weight | 184.97691 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.97691 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | C1=CC2=C(C=C1F)SC(=S)N2 |
| InChIKey | XDZVUKOOUHIRKY-UHFFFAOYSA-N |
Chemical Property Profile of 6-Fluoro-2-mercaptobenzothiazole
Property Insights of 6-Fluoro-2-mercaptobenzothiazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-2-mercaptobenzothiazole. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Fluoro-2-mercaptobenzothiazole. Following Lipinski's Rule of Five, 6-Fluoro-2-mercaptobenzothiazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Fluoro-2-mercaptobenzothiazole?
The CAS number of 6-Fluoro-2-mercaptobenzothiazole is 154327-24-9.
What is the molecular formula of 6-Fluoro-2-mercaptobenzothiazole?
The molecular formula of 6-Fluoro-2-mercaptobenzothiazole is C7H4FNS2.
What is the molecular weight of 6-Fluoro-2-mercaptobenzothiazole?
The molecular weight of 6-Fluoro-2-mercaptobenzothiazole is 184.97691 g/mol.
Where can I buy 6-Fluoro-2-mercaptobenzothiazole?
You can request a quote for 6-Fluoro-2-mercaptobenzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Fluoro-2-mercaptobenzothiazole?
Yes, CoreyChem provides custom synthesis services for 6-Fluoro-2-mercaptobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.