2-(Allylsulfonyl)benzothiazole
TL;DR: 2-(Allylsulfonyl)benzothiazole (CAS 156701-45-0) is a chemical compound with molecular formula C10H9NO2S2 and molecular weight 239.00748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-prop-2-enylsulfonyl-1,3-benzothiazole
Also Known As: 2-(Allylsulfonyl)benzothiazole, 2-(allylsulfonyl)-1,3-benzothiazole, 2-prop-2-enylsulfonyl-1,3-benzothiazole, Allyl(benzothiazole-2-yl) sulfone, 2-(Prop-2-ene-1-sulfonyl)-benzothiazole
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO2S2 |
| Molecular Weight | 239.00748 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.00748 Da |
| Heavy Atoms | 15 |
| Complexity | 334.0 |
| SMILES | C=CCS(=O)(=O)C1=NC2=CC=CC=C2S1 |
| InChIKey | LLETVIRFTRIQGN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Allylsulfonyl)benzothiazole
Property Insights of 2-(Allylsulfonyl)benzothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylsulfonyl)benzothiazole. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylsulfonyl)benzothiazole. Following Lipinski's Rule of Five, 2-(Allylsulfonyl)benzothiazole has 0 hydrogen bond donor(s) and 4 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-(Allylsulfonyl)benzothiazole?
The CAS number of 2-(Allylsulfonyl)benzothiazole is 156701-45-0.
What is the molecular formula of 2-(Allylsulfonyl)benzothiazole?
The molecular formula of 2-(Allylsulfonyl)benzothiazole is C10H9NO2S2.
What is the molecular weight of 2-(Allylsulfonyl)benzothiazole?
The molecular weight of 2-(Allylsulfonyl)benzothiazole is 239.00748 g/mol.
Where can I buy 2-(Allylsulfonyl)benzothiazole?
You can request a quote for 2-(Allylsulfonyl)benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Allylsulfonyl)benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(Allylsulfonyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.