![(2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile structure](/static/products/329/329267-99-4.png)
(2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile
TL;DR: (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile (CAS 329267-99-4) is a chemical compound with molecular formula C16H9F3N4S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-N-[3-(trifluoromethyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide
Also Known As: (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile, (2E)-N-[3-(trifluoromethyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide, (E)-N'-(3-(trifluoromethyl)phenyl)benzo[d]thiazole-2-carbohydrazonoyl cyanide
| Molecular Formula | C16H9F3N4S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 4.65488 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.05 |
| Heavy Atoms | 24 |
| Complexity | 920.6012 |
Chemical Identifiers
| CAS Number | 329267-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=N/NC3=CC=CC(=C3)C(F)(F)F)/C#N |
Product Overview
(2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile (CAS 329267-99-4), with molecular formula C16H9F3N4S and molecular weight 346.05 g/mol. IUPAC: (2E)-N-[3-(trifluoromethyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide.
Chemical Property Profile of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile
Property Insights of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile
The XLogP value of 4.65488 indicates that (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile. Following Lipinski's Rule of Five, (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile?
The CAS number of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile is 329267-99-4.
What is the molecular formula of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile?
The molecular formula of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile is C16H9F3N4S.
What is the molecular weight of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile?
The molecular weight of (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile is 346.05 g/mol.
Where can I buy (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile?
You can request a quote for (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1,3-benzothiazol-2-yl{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.