2-(Ethenylsulfanyl)-1,3-benzothiazole
TL;DR: 2-(Ethenylsulfanyl)-1,3-benzothiazole (CAS 13604-13-2) is a chemical compound with molecular formula C9H7NS2 and molecular weight 193.002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethenylsulfanyl-1,3-benzothiazole
Also Known As: 2-vinylthiobenzothiazole, 2-ethenylsulfanyl-1,3-benzothiazole, 2-(Vinylthio)benzothiazole, 2-Vinylmercapto-benzthiazol, 2-(Ethenylsulfanyl)-1,3-benzothiazole
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NS2 |
| Molecular Weight | 193.002 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.002 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | C=CSC1=NC2=CC=CC=C2S1 |
| InChIKey | UBPTXCHOFYAPNG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Ethenylsulfanyl)-1,3-benzothiazole
Property Insights of 2-(Ethenylsulfanyl)-1,3-benzothiazole
The XLogP value of 3.6 indicates that 2-(Ethenylsulfanyl)-1,3-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-(Ethenylsulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(Ethenylsulfanyl)-1,3-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-(Ethenylsulfanyl)-1,3-benzothiazole?
The CAS number of 2-(Ethenylsulfanyl)-1,3-benzothiazole is 13604-13-2.
What is the molecular formula of 2-(Ethenylsulfanyl)-1,3-benzothiazole?
The molecular formula of 2-(Ethenylsulfanyl)-1,3-benzothiazole is C9H7NS2.
What is the molecular weight of 2-(Ethenylsulfanyl)-1,3-benzothiazole?
The molecular weight of 2-(Ethenylsulfanyl)-1,3-benzothiazole is 193.002 g/mol.
Where can I buy 2-(Ethenylsulfanyl)-1,3-benzothiazole?
You can request a quote for 2-(Ethenylsulfanyl)-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Ethenylsulfanyl)-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(Ethenylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.