4,6-Dichlorobenzothiazole
TL;DR: 4,6-Dichlorobenzothiazole (CAS 854059-32-8) 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.
4,6-dichloro-1,3-benzothiazole
Also Known As: 4,6-dichlorobenzothiazole, 4,6-dichloro-1,3-benzothiazole, 4,6-dichlorobenzo[d]thiazole, 4,6-Dichlor-benzothiazol, Benzothiazole, 4,6-dichloro-
| Molecular Formula | C7H3Cl2NS |
|---|---|
| Molecular Weight | 202.94 g/mol |
| LogP | 3.6031 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.93633 |
| Heavy Atoms | 11 |
| Complexity | 396.23996 |
Chemical Identifiers
| CAS Number | 854059-32-8 |
|---|---|
| SMILES | C1=C(C=C(C2=C1SC=N2)Cl)Cl |
Product Overview
4,6-Dichlorobenzothiazole (CAS 854059-32-8), with molecular formula C7H3Cl2NS and molecular weight 202.94 g/mol. IUPAC: 4,6-dichloro-1,3-benzothiazole.
Chemical Property Profile of 4,6-Dichlorobenzothiazole
Property Insights of 4,6-Dichlorobenzothiazole
The XLogP value of 3.6031 indicates that 4,6-Dichlorobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4,6-Dichlorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-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 4,6-Dichlorobenzothiazole?
The CAS number of 4,6-Dichlorobenzothiazole is 854059-32-8.
What is the molecular formula of 4,6-Dichlorobenzothiazole?
The molecular formula of 4,6-Dichlorobenzothiazole is C7H3Cl2NS.
What is the molecular weight of 4,6-Dichlorobenzothiazole?
The molecular weight of 4,6-Dichlorobenzothiazole is 202.94 g/mol.
Where can I buy 4,6-Dichlorobenzothiazole?
You can request a quote for 4,6-Dichlorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichlorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichlorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.