5-Methyl-2-phenyl-1,3-benzothiazole
TL;DR: 5-Methyl-2-phenyl-1,3-benzothiazole (CAS 107611-15-4) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-phenyl-1,3-benzothiazole
Also Known As: 5-methyl-2-phenyl-1,3-benzothiazole, 5-methyl-2-phenylbenzo[d]thiazole, 2-Phenyl-5-methylbenzothiazole, 5-methyl-2-phenyl-benzothiazole, BENZOTHIAZOLE, 5-METHYL-2-PHENYL- (9CI)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11NS |
| Molecular Weight | 225.06122 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.06122 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| SMILES | CC1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3 |
| InChIKey | CIRWUZNDHHSHSU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-phenyl-1,3-benzothiazole
Property Insights of 5-Methyl-2-phenyl-1,3-benzothiazole
The XLogP value of 4.6 indicates that 5-Methyl-2-phenyl-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-Methyl-2-phenyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-phenyl-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 5-Methyl-2-phenyl-1,3-benzothiazole?
The CAS number of 5-Methyl-2-phenyl-1,3-benzothiazole is 107611-15-4.
What is the molecular formula of 5-Methyl-2-phenyl-1,3-benzothiazole?
The molecular formula of 5-Methyl-2-phenyl-1,3-benzothiazole is C14H11NS.
What is the molecular weight of 5-Methyl-2-phenyl-1,3-benzothiazole?
The molecular weight of 5-Methyl-2-phenyl-1,3-benzothiazole is 225.06122 g/mol.
Where can I buy 5-Methyl-2-phenyl-1,3-benzothiazole?
You can request a quote for 5-Methyl-2-phenyl-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-phenyl-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-phenyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.