2-(tert-Butylthio)benzothiazole
TL;DR: 2-(tert-Butylthio)benzothiazole (CAS 39543-16-3) is a chemical compound with molecular formula C11H13NS2 and molecular weight 223.04893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butylsulfanyl-1,3-benzothiazole
Also Known As: 2-tert-Butylthiobenzothiazole, 2-(tert-Butylthio)benzothiazole, BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-, Benzothiazole,2-[ thio]-, 2-(tert-butylsulfanyl)-1,3-benzothiazole
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NS2 |
| Molecular Weight | 223.04893 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04893 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | CC(C)(C)SC1=NC2=CC=CC=C2S1 |
| InChIKey | OBNJMMOIUUIFCV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(tert-Butylthio)benzothiazole
Property Insights of 2-(tert-Butylthio)benzothiazole
The XLogP value of 4.1 indicates that 2-(tert-Butylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-Butylthio)benzothiazole. Following Lipinski's Rule of Five, 2-(tert-Butylthio)benzothiazole has 0 hydrogen bond donor(s) and 3 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-(tert-Butylthio)benzothiazole?
The CAS number of 2-(tert-Butylthio)benzothiazole is 39543-16-3.
What is the molecular formula of 2-(tert-Butylthio)benzothiazole?
The molecular formula of 2-(tert-Butylthio)benzothiazole is C11H13NS2.
What is the molecular weight of 2-(tert-Butylthio)benzothiazole?
The molecular weight of 2-(tert-Butylthio)benzothiazole is 223.04893 g/mol.
Where can I buy 2-(tert-Butylthio)benzothiazole?
You can request a quote for 2-(tert-Butylthio)benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(tert-Butylthio)benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(tert-Butylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.