N-(3-Nitro-phenyl)-2-thiocyanato-acetamide
TL;DR: N-(3-Nitro-phenyl)-2-thiocyanato-acetamide (CAS 331981-25-0) is a chemical compound with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitroanilino)-2-oxoethyl] thiocyanate
Also Known As: N-(3-Nitro-phenyl)-2-thiocyanato-acetamide, N-(3-Nitrophenyl)-2-thiocyanatoacetamide, BAS 00727714, [2-(3-nitroanilino)-2-oxoethyl] thiocyanate
| Molecular Formula | C9H7N3O3S |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 1.74758 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.02081 |
| Heavy Atoms | 16 |
| Complexity | 455.5576 |
Chemical Identifiers
| CAS Number | 331981-25-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC#N |
Product Overview
N-(3-Nitro-phenyl)-2-thiocyanato-acetamide (CAS 331981-25-0), with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol. IUPAC: [2-(3-nitroanilino)-2-oxoethyl] thiocyanate.
Chemical Property Profile of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide
Property Insights of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide
The XLogP value of 1.74758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Nitro-phenyl)-2-thiocyanato-acetamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Nitro-phenyl)-2-thiocyanato-acetamide. Following Lipinski's Rule of Five, N-(3-Nitro-phenyl)-2-thiocyanato-acetamide has 1 hydrogen bond donor(s) and 5 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-Nitro-phenyl)-2-thiocyanato-acetamide?
The CAS number of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide is 331981-25-0.
What is the molecular formula of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide?
The molecular formula of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide is C9H7N3O3S.
What is the molecular weight of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide?
The molecular weight of N-(3-Nitro-phenyl)-2-thiocyanato-acetamide is 237.02 g/mol.
Where can I buy N-(3-Nitro-phenyl)-2-thiocyanato-acetamide?
You can request a quote for N-(3-Nitro-phenyl)-2-thiocyanato-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitro-phenyl)-2-thiocyanato-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitro-phenyl)-2-thiocyanato-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.