2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide
TL;DR: 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide (CAS 130997-64-7) is a chemical compound with molecular formula C11H10BrF3N2OS and molecular weight 353.96494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-prop-2-enyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrobromide
Also Known As: 3-Allyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide, 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide, 3-(2-Propenyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrobromide, 3-prop-2-enyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide, 3-prop-2-enyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine,hydrobromide
Technical Specifications
| Molecular Formula | C11H10BrF3N2OS |
| Molecular Weight | 353.96494 g/mol |
| XLogP | 3.84477 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.96494 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | C=CCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N.Br |
| InChIKey | DLKUPWYIFLDZHM-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide
Property Insights of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide
The XLogP value of 3.84477 indicates that 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide has 2 hydrogen bond donor(s) and 6 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(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide?
The CAS number of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide is 130997-64-7.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide?
The molecular formula of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide is C11H10BrF3N2OS.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide?
The molecular weight of 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide is 353.96494 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide?
You can request a quote for 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.