2-(4-Methylphenyl)-2-oxoethyl thiocyanate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl thiocyanate (CAS 6097-27-4) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] thiocyanate
Also Known As: 4-Methylphenacyl thiocyanate, 2-(4-methylphenyl)-2-oxoethyl thiocyanate, 2-Thiocyanato-1-(p-tolyl)ethanone, Maybridge1_003340, 4-METHYLPHENACYLTHIOCYANATE
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.392 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 336.93753 |
Chemical Identifiers
| CAS Number | 6097-27-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC#N |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl thiocyanate (CAS 6097-27-4), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate
The XLogP value of 2.392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2-oxoethyl thiocyanate. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(4-Methylphenyl)-2-oxoethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl thiocyanate has 0 hydrogen bond donor(s) and 3 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)-2-oxoethyl thiocyanate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate is 6097-27-4.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate is C10H9NOS.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl thiocyanate is 191.04 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl thiocyanate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 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)-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.