![2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile structure](/static/products/3389/338976-14-0.webp)
2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile
TL;DR: 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile (CAS 338976-14-0) is a chemical compound with molecular formula C13H14F3N3O2S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide
Also Known As: 2-(tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile, 1-tert-butylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide, (1E)-1-tert-butylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide, [C-tert-butylsulfonyl-N-[[4-(trifluoromethyl)phenyl]amino]carbonimidoyl]formonitrile
| Molecular Formula | C13H14F3N3O2S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.16768 |
| Topological Polar Surface Area | 82.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0759 |
| Heavy Atoms | 22 |
| Complexity | 708.8728 |
Chemical Identifiers
| CAS Number | 338976-14-0 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)C(F)(F)F)C#N |
Product Overview
2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile (CAS 338976-14-0), with molecular formula C13H14F3N3O2S and molecular weight 333.08 g/mol. IUPAC: 1-tert-butylsulfonyl-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide.
Chemical Property Profile of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile
Property Insights of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile
The XLogP value of 3.16768 indicates that 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile. Following Lipinski's Rule of Five, 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile 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 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile?
The CAS number of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile is 338976-14-0.
What is the molecular formula of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile?
The molecular formula of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile is C13H14F3N3O2S.
What is the molecular weight of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile?
The molecular weight of 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile is 333.08 g/mol.
Where can I buy 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile?
You can request a quote for 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.