![2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile structure](/static/products/4687/4687-57-4.webp)
2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile
TL;DR: 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile (CAS 4687-57-4) is a chemical compound with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-N-(4-methylsulfanylanilino)methanimidoyl cyanide
Also Known As: 1-tert-butylsulfonyl-N-(4-methylsulfanylanilino)methanimidoyl cyanide, 2-(tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile, (2-Methylpropane-2-sulfonyl){2-[4-(methylsulfanyl)phenyl]hydrazinylidene}acetonitrile
| Molecular Formula | C13H17N3O2S2 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.87078 |
| Topological Polar Surface Area | 82.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07623 |
| Heavy Atoms | 20 |
| Complexity | 635.6792 |
Chemical Identifiers
| CAS Number | 4687-57-4 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)SC)C#N |
Product Overview
2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile (CAS 4687-57-4), with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol. IUPAC: 1-tert-butylsulfonyl-N-(4-methylsulfanylanilino)methanimidoyl cyanide.
Chemical Property Profile of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile
Property Insights of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile
The XLogP value of 2.87078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile. The TPSA of 82.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile. Following Lipinski's Rule of Five, 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile has 1 hydrogen bond donor(s) and 6 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-(methylsulfanyl)phenyl]hydrazono}acetonitrile?
The CAS number of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile is 4687-57-4.
What is the molecular formula of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile?
The molecular formula of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile is C13H17N3O2S2.
What is the molecular weight of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile?
The molecular weight of 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile is 311.08 g/mol.
Where can I buy 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile?
You can request a quote for 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)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-(methylsulfanyl)phenyl]hydrazono}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfonyl)-2-{2-[4-(methylsulfanyl)phenyl]hydrazono}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.