![[2-(2-Methylanilino)-2-oxoethyl] thiocyanate structure](/static/products/871/87169-07-1.png)
[2-(2-Methylanilino)-2-oxoethyl] thiocyanate
TL;DR: [2-(2-Methylanilino)-2-oxoethyl] thiocyanate (CAS 87169-07-1) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylanilino)-2-oxoethyl] thiocyanate
Also Known As: [2-(2-methylanilino)-2-oxoethyl] thiocyanate|2-(2-Methylanilino)-2-oxoethyl thiocyanate
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 87169-07-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC#N |
| InChIKey | XMUDPKGERVDOCG-UHFFFAOYSA-N |
Product Overview
[2-(2-Methylanilino)-2-oxoethyl] thiocyanate (CAS 87169-07-1), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: [2-(2-methylanilino)-2-oxoethyl] thiocyanate.
Chemical Property Profile of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate
Property Insights of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Methylanilino)-2-oxoethyl] thiocyanate. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Methylanilino)-2-oxoethyl] thiocyanate. Following Lipinski's Rule of Five, [2-(2-Methylanilino)-2-oxoethyl] thiocyanate has 1 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-(2-Methylanilino)-2-oxoethyl] thiocyanate?
The CAS number of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate is 87169-07-1.
What is the molecular formula of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate?
The molecular formula of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate is C10H10N2OS.
What is the molecular weight of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate?
The molecular weight of [2-(2-Methylanilino)-2-oxoethyl] thiocyanate is 206.05 g/mol.
Where can I buy [2-(2-Methylanilino)-2-oxoethyl] thiocyanate?
You can request a quote for [2-(2-Methylanilino)-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-(2-Methylanilino)-2-oxoethyl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Methylanilino)-2-oxoethyl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.