N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide
TL;DR: N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide (CAS 896357-08-7) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-4-methylsulfanylbenzamide
Also Known As: N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide, N-(3-cyanothiophen-2-yl)-4-(methylsulfanyl)benzamide, N-(3-cyanothiophen-2-yl)-4-methylsulfanylbenzamide, F2555-0227
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.59398 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 596.199 |
Chemical Identifiers
| CAS Number | 896357-08-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C#N |
Product Overview
N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide (CAS 896357-08-7), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-4-methylsulfanylbenzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide
Property Insights of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide
The XLogP value of 3.59398 indicates that N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide 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 N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide is 896357-08-7.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide is C13H10N2OS2.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide is 274.02 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-4-(methylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.