2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate
TL;DR: 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate (CAS 1634-45-3) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-methylfuran-2-yl)-2-oxoethyl] thiocyanate
Also Known As: 2-(5-methyl-2-furyl)-2-oxoethyl thiocyanate, TimTec1_001946, [2-(5-methylfuran-2-yl)-2-oxoethyl] thiocyanate, 1-(5-Methylfuran-2-yl)-2-thiocyanatoethanone, 2-(5-Methyl-2-furanyl)-2-oxoethyl thiocyanate
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.985 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 324.044 |
Chemical Identifiers
| CAS Number | 1634-45-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)CSC#N |
Product Overview
2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate (CAS 1634-45-3), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: [2-(5-methylfuran-2-yl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate
Property Insights of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate
The XLogP value of 1.985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methyl-2-furyl)-2-oxoethyl 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-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate?
The CAS number of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate is 1634-45-3.
What is the molecular formula of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate?
The molecular formula of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate is C8H7NO2S.
What is the molecular weight of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate?
The molecular weight of 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate is 181.02 g/mol.
Where can I buy 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate?
You can request a quote for 2-(5-Methyl-2-furyl)-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-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-2-furyl)-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.