p-Toluenesulphenyl cyanide
TL;DR: p-Toluenesulphenyl cyanide (CAS 5285-74-5) is a chemical compound with molecular formula C8H7NS and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) thiocyanate
Also Known As: p-toluenesulphenyl cyanide, (4-methylphenyl) thiocyanate, p-tolyl thiocyanate, p-Tolylthio cyanide, 1-methyl-4-thiocyanatobenzene
| Molecular Formula | C8H7NS |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 2.5682 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.02992 |
| Heavy Atoms | 10 |
| Complexity | 244.95526 |
Chemical Identifiers
| CAS Number | 5285-74-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC#N |
Product Overview
p-Toluenesulphenyl cyanide (CAS 5285-74-5), with molecular formula C8H7NS and molecular weight 149.03 g/mol. IUPAC: (4-methylphenyl) thiocyanate.
Chemical Property Profile of p-Toluenesulphenyl cyanide
Property Insights of p-Toluenesulphenyl cyanide
The XLogP value of 2.5682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulphenyl cyanide. With a topological polar surface area (TPSA) of 23.79 Ų, p-Toluenesulphenyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluenesulphenyl cyanide has 0 hydrogen bond donor(s) and 2 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 p-Toluenesulphenyl cyanide?
The CAS number of p-Toluenesulphenyl cyanide is 5285-74-5.
What is the molecular formula of p-Toluenesulphenyl cyanide?
The molecular formula of p-Toluenesulphenyl cyanide is C8H7NS.
What is the molecular weight of p-Toluenesulphenyl cyanide?
The molecular weight of p-Toluenesulphenyl cyanide is 149.03 g/mol.
Where can I buy p-Toluenesulphenyl cyanide?
You can request a quote for p-Toluenesulphenyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulphenyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulphenyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.