4,5-Dichloro-2-methyl-benzothiazole
TL;DR: 4,5-Dichloro-2-methyl-benzothiazole (CAS 40939-76-2) is a chemical compound with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-methyl-1,3-benzothiazole
Also Known As: 4,5-dichloro-2-methyl-1,3-benzothiazole, Benzothiazole,4,5-dichloro-2-methyl-, 4,5-Dichloro-2-methyl-benzothiazole, 4,5-Dichloro-2-methylbenzothiazole, 4,5-Dichloro-2-methylbenzo[d]thiazole
| Molecular Formula | C8H5Cl2NS |
|---|---|
| Molecular Weight | 216.95 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.95198 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 40939-76-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2Cl)Cl |
| InChIKey | KHDXWYMBFKGSHM-UHFFFAOYSA-N |
Product Overview
4,5-Dichloro-2-methyl-benzothiazole (CAS 40939-76-2), with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol. IUPAC: 4,5-dichloro-2-methyl-1,3-benzothiazole.
Chemical Property Profile of 4,5-Dichloro-2-methyl-benzothiazole
Property Insights of 4,5-Dichloro-2-methyl-benzothiazole
The XLogP value of 4.0 indicates that 4,5-Dichloro-2-methyl-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4,5-Dichloro-2-methyl-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-2-methyl-benzothiazole 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 4,5-Dichloro-2-methyl-benzothiazole?
The CAS number of 4,5-Dichloro-2-methyl-benzothiazole is 40939-76-2.
What is the molecular formula of 4,5-Dichloro-2-methyl-benzothiazole?
The molecular formula of 4,5-Dichloro-2-methyl-benzothiazole is C8H5Cl2NS.
What is the molecular weight of 4,5-Dichloro-2-methyl-benzothiazole?
The molecular weight of 4,5-Dichloro-2-methyl-benzothiazole is 216.95 g/mol.
Where can I buy 4,5-Dichloro-2-methyl-benzothiazole?
You can request a quote for 4,5-Dichloro-2-methyl-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-methyl-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-methyl-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.