4-chlorobenzothiazol-2(3H)-one
TL;DR: 4-chlorobenzothiazol-2(3H)-one (CAS 39205-62-4) is a chemical compound with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3H-1,3-benzothiazol-2-one
Also Known As: 4-Chlorobenzo[d]thiazol-2(3H)-one, 4-Choro-2(3H)-benzothiazolone, 4-chlorobenzothiazolone, 2-Hydroxy-4-chloro benzothiozole, 4-Chloro-2(3H)-benzothiazolone
| Molecular Formula | C7H4ClNOS |
|---|---|
| Molecular Weight | 184.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.97021 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 39205-62-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)NC(=O)S2 |
| InChIKey | MBFOZAKOORJAMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chlorobenzothiazol-2(3H)-one (CAS 39205-62-4), with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol. IUPAC: 4-chloro-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 4-chlorobenzothiazol-2(3H)-one
Property Insights of 4-chlorobenzothiazol-2(3H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chlorobenzothiazol-2(3H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 4-chlorobenzothiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorobenzothiazol-2(3H)-one 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 4-chlorobenzothiazol-2(3H)-one?
The CAS number of 4-chlorobenzothiazol-2(3H)-one is 39205-62-4.
What is the molecular formula of 4-chlorobenzothiazol-2(3H)-one?
The molecular formula of 4-chlorobenzothiazol-2(3H)-one is C7H4ClNOS.
What is the molecular weight of 4-chlorobenzothiazol-2(3H)-one?
The molecular weight of 4-chlorobenzothiazol-2(3H)-one is 184.97 g/mol.
Where can I buy 4-chlorobenzothiazol-2(3H)-one?
You can request a quote for 4-chlorobenzothiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzothiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.