1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CAS 339359-42-1) is a chemical compound with molecular formula C12H9F6N3OS and molecular weight 357.03705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea, 1-(benzo[d]thiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea, 1-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Technical Specifications
| Molecular Formula | C12H9F6N3OS |
| Molecular Weight | 357.03705 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.03705 Da |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
| SMILES | CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | TVENZDWKLWERMA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
The XLogP value of 4.2 indicates that 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 339359-42-1.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is C12H9F6N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 357.03705 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.