N-(3-异硫氰酸酯基苯基)乙酰胺
TL;DR: N-(3-异硫氰酸酯基苯基)乙酰胺 (CAS 3137-83-5) 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.
N-(3-异硫氰酸酯基苯基)乙酰胺
N-(3-isothiocyanatophenyl)acetamide
Also Known As: N-(3-Isothiocyanatophenyl)acetamide, 3'-Isothiocyanatoacetanilide, 3-Isothiocyanatoacetanilide, 3-Acetamidophenyl isothiocyanate, Acetamide, N-(3-isothiocyanatophenyl)-
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 3137-83-5 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)N=C=S |
| InChIKey | HLWVGQKSSIHUAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-异硫氰酸酯基苯基)乙酰胺 (CAS 3137-83-5), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: N-(3-isothiocyanatophenyl)acetamide.
Chemical Property Profile of N-(3-异硫氰酸酯基苯基)乙酰胺
Property Insights of N-(3-异硫氰酸酯基苯基)乙酰胺
The XLogP value of 3.0 indicates that N-(3-异硫氰酸酯基苯基)乙酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-异硫氰酸酯基苯基)乙酰胺. Following Lipinski's Rule of Five, N-(3-异硫氰酸酯基苯基)乙酰胺 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 N-(3-异硫氰酸酯基苯基)乙酰胺?
The CAS number of N-(3-异硫氰酸酯基苯基)乙酰胺 is 3137-83-5.
What is the molecular formula of N-(3-异硫氰酸酯基苯基)乙酰胺?
The molecular formula of N-(3-异硫氰酸酯基苯基)乙酰胺 is C9H8N2OS.
What is the molecular weight of N-(3-异硫氰酸酯基苯基)乙酰胺?
The molecular weight of N-(3-异硫氰酸酯基苯基)乙酰胺 is 192.04 g/mol.
Where can I buy N-(3-异硫氰酸酯基苯基)乙酰胺?
You can request a quote for N-(3-异硫氰酸酯基苯基)乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-异硫氰酸酯基苯基)乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3-异硫氰酸酯基苯基)乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.