![6-Chlorobenzo[d]thiazol-2(3H)-one structure](/static/products/6699/6699-44-1.webp)
6-Chlorobenzo[d]thiazol-2(3H)-one
TL;DR: 6-Chlorobenzo[d]thiazol-2(3H)-one (CAS 6699-44-1) 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.
6-chloro-3H-1,3-benzothiazol-2-one
Also Known As: 6-Chlorobenzo[d]thiazol-2(3H)-one, 6-chloro-3H-benzothiazol-2-one, 2(3H)-Benzothiazolone, 6-chloro-, 6-Chloro-2(3H)-benzothiazolone, 6-Chloro-2-hydroxy benzothiazol
| Molecular Formula | C7H4ClNOS |
|---|---|
| Molecular Weight | 184.97 g/mol |
| LogP | 2.4 |
| 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 | 6699-44-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)SC(=O)N2 |
| InChIKey | PUQHEPFUBPHTCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlorobenzo[d]thiazol-2(3H)-one (CAS 6699-44-1), with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol. IUPAC: 6-chloro-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 6-Chlorobenzo[d]thiazol-2(3H)-one
Property Insights of 6-Chlorobenzo[d]thiazol-2(3H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorobenzo[d]thiazol-2(3H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 6-Chlorobenzo[d]thiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorobenzo[d]thiazol-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 6-Chlorobenzo[d]thiazol-2(3H)-one?
The CAS number of 6-Chlorobenzo[d]thiazol-2(3H)-one is 6699-44-1.
What is the molecular formula of 6-Chlorobenzo[d]thiazol-2(3H)-one?
The molecular formula of 6-Chlorobenzo[d]thiazol-2(3H)-one is C7H4ClNOS.
What is the molecular weight of 6-Chlorobenzo[d]thiazol-2(3H)-one?
The molecular weight of 6-Chlorobenzo[d]thiazol-2(3H)-one is 184.97 g/mol.
Where can I buy 6-Chlorobenzo[d]thiazol-2(3H)-one?
You can request a quote for 6-Chlorobenzo[d]thiazol-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 6-Chlorobenzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorobenzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.