4-Acetamido-3-methoxyphenyl thiocyanate
TL;DR: 4-Acetamido-3-methoxyphenyl thiocyanate (CAS 41608-71-3) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamido-3-methoxyphenyl) thiocyanate
Also Known As: 4-acetamido-3-methoxyphenyl thiocyanate, (4-acetamido-3-methoxyphenyl) thiocyanate, N-(2-Methoxy-4-thiocyanatophenyl)acetamide, N-(2-methoxy-4-thiocyanato-phenyl)acetamide, N-[4-(cyanosulfanyl)-2-methoxyphenyl]acetamide
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.22678 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 412.3737 |
Chemical Identifiers
| CAS Number | 41608-71-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)SC#N)OC |
Product Overview
4-Acetamido-3-methoxyphenyl thiocyanate (CAS 41608-71-3), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: (4-acetamido-3-methoxyphenyl) thiocyanate.
Chemical Property Profile of 4-Acetamido-3-methoxyphenyl thiocyanate
Property Insights of 4-Acetamido-3-methoxyphenyl thiocyanate
The XLogP value of 2.22678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-3-methoxyphenyl thiocyanate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-3-methoxyphenyl thiocyanate. Following Lipinski's Rule of Five, 4-Acetamido-3-methoxyphenyl thiocyanate has 1 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 4-Acetamido-3-methoxyphenyl thiocyanate?
The CAS number of 4-Acetamido-3-methoxyphenyl thiocyanate is 41608-71-3.
What is the molecular formula of 4-Acetamido-3-methoxyphenyl thiocyanate?
The molecular formula of 4-Acetamido-3-methoxyphenyl thiocyanate is C10H10N2O2S.
What is the molecular weight of 4-Acetamido-3-methoxyphenyl thiocyanate?
The molecular weight of 4-Acetamido-3-methoxyphenyl thiocyanate is 222.05 g/mol.
Where can I buy 4-Acetamido-3-methoxyphenyl thiocyanate?
You can request a quote for 4-Acetamido-3-methoxyphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-3-methoxyphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-3-methoxyphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.