5-Fluoro-1,2-benzothiazol-3-one
TL;DR: 5-Fluoro-1,2-benzothiazol-3-one (CAS 159803-10-8) 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.
5-fluoro-1,2-benzothiazol-3-one
Also Known As: 5-fluoro-1,2-benzothiazol-3-one, 5-FLUOROBENZO[D]ISOTHIAZOL-3(2H)-ONE, 5-fluoro-2,3-dihydro-1,2-benzothiazol-3-one, 5-fluorobenzo[d]isothiazol-3[2H]-one, 5-fluoro-1,2-benzothiazol-3(2h)-one
| Molecular Formula | C7H4FNOS |
|---|---|
| Molecular Weight | 169.00 g/mol |
| LogP | 1.4 |
| 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 | 159803-10-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)NS2 |
| InChIKey | YQPCUKYPWPUJHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-1,2-benzothiazol-3-one (CAS 159803-10-8), with molecular formula C7H4FNOS and molecular weight 169.00 g/mol. IUPAC: 5-fluoro-1,2-benzothiazol-3-one.
Chemical Property Profile of 5-Fluoro-1,2-benzothiazol-3-one
Property Insights of 5-Fluoro-1,2-benzothiazol-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Fluoro-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-1,2-benzothiazol-3-one 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 5-Fluoro-1,2-benzothiazol-3-one?
The CAS number of 5-Fluoro-1,2-benzothiazol-3-one is 159803-10-8.
What is the molecular formula of 5-Fluoro-1,2-benzothiazol-3-one?
The molecular formula of 5-Fluoro-1,2-benzothiazol-3-one is C7H4FNOS.
What is the molecular weight of 5-Fluoro-1,2-benzothiazol-3-one?
The molecular weight of 5-Fluoro-1,2-benzothiazol-3-one is 169.00 g/mol.
Where can I buy 5-Fluoro-1,2-benzothiazol-3-one?
You can request a quote for 5-Fluoro-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.