2,6-Dichlorobenzothiazole
TL;DR: 2,6-Dichlorobenzothiazole (CAS 3622-23-9) is a chemical compound with molecular formula C7H3Cl2NS and molecular weight 202.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-1,3-benzothiazole
Also Known As: 2,6-Dichlorobenzothiazole, 2,6-Dichloro-1,3-benzothiazole, 2,6-dichlorobenzo[d]thiazole, Benzothiazole, 2,6-dichloro-, 2,6-Dichloro benzothiazole
| Molecular Formula | C7H3Cl2NS |
|---|---|
| Molecular Weight | 202.94 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.93633 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 3622-23-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)SC(=N2)Cl |
| InChIKey | QDZGJGWDGLHVNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dichlorobenzothiazole (CAS 3622-23-9), with molecular formula C7H3Cl2NS and molecular weight 202.94 g/mol. IUPAC: 2,6-dichloro-1,3-benzothiazole.
Chemical Property Profile of 2,6-Dichlorobenzothiazole
Property Insights of 2,6-Dichlorobenzothiazole
The XLogP value of 4.2 indicates that 2,6-Dichlorobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2,6-Dichlorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorobenzothiazole has 0 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 2,6-Dichlorobenzothiazole?
The CAS number of 2,6-Dichlorobenzothiazole is 3622-23-9.
What is the molecular formula of 2,6-Dichlorobenzothiazole?
The molecular formula of 2,6-Dichlorobenzothiazole is C7H3Cl2NS.
What is the molecular weight of 2,6-Dichlorobenzothiazole?
The molecular weight of 2,6-Dichlorobenzothiazole is 202.94 g/mol.
Where can I buy 2,6-Dichlorobenzothiazole?
You can request a quote for 2,6-Dichlorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.