5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole
TL;DR: 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole (CAS 146274-12-6) is a chemical compound with molecular formula C14H10ClNS and molecular weight 259.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-(4-methylphenyl)-1,3-benzothiazole
Also Known As: 5-chloro-2-(4-methylphenyl)benzothiazole, 2-(4-Methylphenyl)-5-chlorobenzothiazole, J3.309.003J, 5-chloro-2-(4-methylphenyl)-1,3-benzothiazole
Technical Specifications
| Molecular Formula | C14H10ClNS |
| Molecular Weight | 259.02225 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.02225 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl |
| InChIKey | NJNYNIKOEDPXFA-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole
Property Insights of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole
The XLogP value of 5.3 indicates that 5-Chloro-2-(4-methylphenyl)-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, 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole?
The CAS number of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole is 146274-12-6.
What is the molecular formula of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole?
The molecular formula of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole is C14H10ClNS.
What is the molecular weight of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole?
The molecular weight of 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole is 259.02225 g/mol.
Where can I buy 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole?
You can request a quote for 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-(4-methylphenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.