![N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide structure](/static/products/4774/477498-08-1.webp)
N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide (CAS 477498-08-1) is a chemical compound with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: F0806-0866, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitro-1-benzothiophene-2-carboxamide, N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide, N-[o-(2-cyanoethylthio)phenyl]-5-nitro-1-benzothiophene-2-carboxamide
| Molecular Formula | C18H13N3O3S2 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 5.06758 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.03983 |
| Heavy Atoms | 26 |
| Complexity | 1023.93835 |
Chemical Identifiers
| CAS Number | 477498-08-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide (CAS 477498-08-1), with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide
The XLogP value of 5.06758 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide is 477498-08-1.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide is C18H13N3O3S2.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide is 383.04 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrobenzo[b]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.