Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-
TL;DR: Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- (CAS 100333-44-6) is a chemical compound with molecular formula C11H5F6NS and molecular weight 297.0047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole
Also Known As: BENZOTHIAZOLE, 2-(3,3,3-TRIFLUORO-2-(TRIFLUOROMETHYL)-1-PROPENYL)-, 2-(3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene-1-yl)-benzothiazole, 2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]-1,3-benzothiazole, 2-(3,3,3-Trifluoro-2-(trifluoromethyl)-1-propenyl)benzothiazole, 2-[3,3,3-Trifluoro-2-(trifluoromethyl)-1-propenyl]benzothiazole
Technical Specifications
| Molecular Formula | C11H5F6NS |
| Molecular Weight | 297.0047 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.0047 Da |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | PDKKHDDGXFZCFZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-
Property Insights of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-
The XLogP value of 5.3 indicates that Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-?
The CAS number of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- is 100333-44-6.
What is the molecular formula of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-?
The molecular formula of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- is C11H5F6NS.
What is the molecular weight of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-?
The molecular weight of Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- is 297.0047 g/mol.
Where can I buy Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-?
You can request a quote for Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.