2-Benzothiazolinone, 6-fluoro-
TL;DR: 2-Benzothiazolinone, 6-fluoro- (CAS 63754-96-1) is a chemical compound with molecular formula C7H4FNOS and molecular weight 169.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-3H-1,3-benzothiazol-2-one
Also Known As: 6-Fluoro-2(3H)-benzothiazolone, 6-fluorobenzo[d]thiazol-2(3H)-one, 6-Fluoro-benzothiazol-2-one, 6-fluoro-3H-1,3-benzothiazol-2-one, 6-fluoro-1,3-benzothiazol-2-ol
| Molecular Formula | C7H4FNOS |
|---|---|
| Molecular Weight | 169.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.99976 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 63754-96-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)SC(=O)N2 |
| InChIKey | HCFZOCSVSDAYQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolinone, 6-fluoro- (CAS 63754-96-1), with molecular formula C7H4FNOS and molecular weight 169.00 g/mol. IUPAC: 6-fluoro-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2-Benzothiazolinone, 6-fluoro-
Property Insights of 2-Benzothiazolinone, 6-fluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolinone, 6-fluoro-. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Benzothiazolinone, 6-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazolinone, 6-fluoro- 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
Frequently Asked Questions
What is the CAS number of 2-Benzothiazolinone, 6-fluoro-?
The CAS number of 2-Benzothiazolinone, 6-fluoro- is 63754-96-1.
What is the molecular formula of 2-Benzothiazolinone, 6-fluoro-?
The molecular formula of 2-Benzothiazolinone, 6-fluoro- is C7H4FNOS.
What is the molecular weight of 2-Benzothiazolinone, 6-fluoro-?
The molecular weight of 2-Benzothiazolinone, 6-fluoro- is 169.00 g/mol.
Where can I buy 2-Benzothiazolinone, 6-fluoro-?
You can request a quote for 2-Benzothiazolinone, 6-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolinone, 6-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolinone, 6-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.