4-Acetylaminophenylthiocyanate
TL;DR: 4-Acetylaminophenylthiocyanate (CAS 3321-94-6) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) thiocyanate
Also Known As: 4-acetylaminophenylthiocyanate, 4-Rhodan-acetanilid, (4-acetamidophenyl) thiocyanate, 4-Acetamidophenyl thiocyanate, N-(4-Thiocyanatophenyl)acetamide
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3321-94-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)SC#N |
| InChIKey | APEAGEVJCMOJFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetylaminophenylthiocyanate (CAS 3321-94-6), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: (4-acetamidophenyl) thiocyanate.
Chemical Property Profile of 4-Acetylaminophenylthiocyanate
Property Insights of 4-Acetylaminophenylthiocyanate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylaminophenylthiocyanate. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylaminophenylthiocyanate. Following Lipinski's Rule of Five, 4-Acetylaminophenylthiocyanate 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 4-Acetylaminophenylthiocyanate?
The CAS number of 4-Acetylaminophenylthiocyanate is 3321-94-6.
What is the molecular formula of 4-Acetylaminophenylthiocyanate?
The molecular formula of 4-Acetylaminophenylthiocyanate is C9H8N2OS.
What is the molecular weight of 4-Acetylaminophenylthiocyanate?
The molecular weight of 4-Acetylaminophenylthiocyanate is 192.04 g/mol.
Where can I buy 4-Acetylaminophenylthiocyanate?
You can request a quote for 4-Acetylaminophenylthiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylaminophenylthiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylaminophenylthiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.