2,7-Dichloro-4-methyl-1,3-benzothiazole
TL;DR: 2,7-Dichloro-4-methyl-1,3-benzothiazole (CAS 126920-73-8) is a chemical compound with molecular formula C8H5Cl2NS and molecular weight 216.95198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-dichloro-4-methyl-1,3-benzothiazole
Also Known As: 2,7-dichloro-4-methyl-1,3-benzothiazole, 2,7-Dichloro-4-methylbenzothiazole, 2,7-Dichloro-4-methyl-benzothiazole, IFLAB-BB F1910-0024, 2,7-dichloro-4-methylbenzo[d]thiazole
Technical Specifications
| Molecular Formula | C8H5Cl2NS |
| Molecular Weight | 216.95198 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.95198 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | CC1=C2C(=C(C=C1)Cl)SC(=N2)Cl |
| InChIKey | BUYSZGJSZGEBEZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-Dichloro-4-methyl-1,3-benzothiazole
Property Insights of 2,7-Dichloro-4-methyl-1,3-benzothiazole
The XLogP value of 4.3 indicates that 2,7-Dichloro-4-methyl-1,3-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, 2,7-Dichloro-4-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dichloro-4-methyl-1,3-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
What is the CAS number of 2,7-Dichloro-4-methyl-1,3-benzothiazole?
The CAS number of 2,7-Dichloro-4-methyl-1,3-benzothiazole is 126920-73-8.
What is the molecular formula of 2,7-Dichloro-4-methyl-1,3-benzothiazole?
The molecular formula of 2,7-Dichloro-4-methyl-1,3-benzothiazole is C8H5Cl2NS.
What is the molecular weight of 2,7-Dichloro-4-methyl-1,3-benzothiazole?
The molecular weight of 2,7-Dichloro-4-methyl-1,3-benzothiazole is 216.95198 g/mol.
Where can I buy 2,7-Dichloro-4-methyl-1,3-benzothiazole?
You can request a quote for 2,7-Dichloro-4-methyl-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-Dichloro-4-methyl-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2,7-Dichloro-4-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.