![2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate structure](/static/products/721/72132-68-4.png)
2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate
TL;DR: 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate (CAS 72132-68-4) is a chemical compound with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitrophenyl)sulfonyl-1-phenylethyl] thiocyanate
Also Known As: [2-(2-nitrophenyl)sulfonyl-1-phenylethyl] thiocyanate, 2-[(2-nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate, 1-nitro-2-((2-phenyl-2-thiocyanatoethyl)sulfonyl)benzene, {2-[(2-nitrophenyl)sulfonyl]-1-phenylethyl}thiocarbonitrile
| Molecular Formula | C15H12N2O4S2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 3.32408 |
| Topological Polar Surface Area | 101.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.02383 |
| Heavy Atoms | 23 |
| Complexity | 845.28064 |
Chemical Identifiers
| CAS Number | 72132-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])SC#N |
Product Overview
2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate (CAS 72132-68-4), with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol. IUPAC: [2-(2-nitrophenyl)sulfonyl-1-phenylethyl] thiocyanate.
Chemical Property Profile of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate
Property Insights of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate
The XLogP value of 3.32408 indicates that 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate. Following Lipinski's Rule of Five, 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate has 0 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-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate?
The CAS number of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate is 72132-68-4.
What is the molecular formula of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate?
The molecular formula of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate is C15H12N2O4S2.
What is the molecular weight of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate?
The molecular weight of 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate is 348.02 g/mol.
Where can I buy 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate?
You can request a quote for 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Nitrophenyl)sulfonyl]-1-phenylethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.