![[2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate structure](/static/products/5399/53998-86-0.webp)
[2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate
TL;DR: [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate (CAS 53998-86-0) is a chemical compound with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)sulfonyl-1-phenylethyl] thiocyanate
Also Known As: IFLab1_004112, [2-(4-methylphenyl)sulfonyl-1-phenylethyl] thiocyanate, {[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile, 1-methyl-4-((2-phenyl-2-thiocyanatoethyl)sulfonyl)benzene, AB00075626-01
| Molecular Formula | C16H15NO2S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.7243 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0544 |
| Heavy Atoms | 21 |
| Complexity | 732.0965 |
Chemical Identifiers
| CAS Number | 53998-86-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)SC#N |
Product Overview
[2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate (CAS 53998-86-0), with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol. IUPAC: [2-(4-methylphenyl)sulfonyl-1-phenylethyl] thiocyanate.
Chemical Property Profile of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate
Property Insights of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate
The XLogP value of 3.7243 indicates that [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] 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, [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] 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 [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate?
The CAS number of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate is 53998-86-0.
What is the molecular formula of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate?
The molecular formula of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate is C16H15NO2S2.
What is the molecular weight of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate?
The molecular weight of [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate is 317.05 g/mol.
Where can I buy [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate?
You can request a quote for [2-(4-Methylphenyl)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-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Methylphenyl)sulfonyl-1-phenylethyl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.