1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate
TL;DR: 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate (CAS 72132-66-2) is a chemical compound with molecular formula C15H13NO2S2 and molecular weight 303.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-1-phenylethyl] thiocyanate
Also Known As: 1-phenyl-2-(phenylsulfonyl)ethyl thiocyanate, [2-(benzenesulfonyl)-1-phenylethyl] thiocyanate, BIM-0011469.P001, ((2-phenyl-2-thiocyanatoethyl)sulfonyl)benzene, [1-phenyl-2-(phenylsulfonyl)ethyl]thiocarbonitrile
| Molecular Formula | C15H13NO2S2 |
|---|---|
| Molecular Weight | 303.04 g/mol |
| LogP | 3.41588 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.03876 |
| Heavy Atoms | 20 |
| Complexity | 691.6583 |
Chemical Identifiers
| CAS Number | 72132-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)SC#N |
Product Overview
1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate (CAS 72132-66-2), with molecular formula C15H13NO2S2 and molecular weight 303.04 g/mol. IUPAC: [2-(benzenesulfonyl)-1-phenylethyl] thiocyanate.
Chemical Property Profile of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate
Property Insights of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate
The XLogP value of 3.41588 indicates that 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate has 0 hydrogen bond donor(s) and 4 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 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate?
The CAS number of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate is 72132-66-2.
What is the molecular formula of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate?
The molecular formula of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate is C15H13NO2S2.
What is the molecular weight of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate?
The molecular weight of 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate is 303.04 g/mol.
Where can I buy 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate?
You can request a quote for 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-(phenylsulfonyl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.