2-Cyano-N-(2-thienylmethyl)acetamide
TL;DR: 2-Cyano-N-(2-thienylmethyl)acetamide (CAS 252561-33-4) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-Cyano-N-(2-thienylmethyl)acetamide, 2-cyano-N-(thiophen-2-ylmethyl)acetamide, Maybridge4_000566, IDI1_031148, 2-Cyano-N-(2-thienylmethyl)acetamide #
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 252561-33-4 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=O)CC#N |
| InChIKey | GNUSPUIOGRNHSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-N-(2-thienylmethyl)acetamide (CAS 252561-33-4), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 2-cyano-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of 2-Cyano-N-(2-thienylmethyl)acetamide
Property Insights of 2-Cyano-N-(2-thienylmethyl)acetamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-(2-thienylmethyl)acetamide. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-(2-thienylmethyl)acetamide. Following Lipinski's Rule of Five, 2-Cyano-N-(2-thienylmethyl)acetamide 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 2-Cyano-N-(2-thienylmethyl)acetamide?
The CAS number of 2-Cyano-N-(2-thienylmethyl)acetamide is 252561-33-4.
What is the molecular formula of 2-Cyano-N-(2-thienylmethyl)acetamide?
The molecular formula of 2-Cyano-N-(2-thienylmethyl)acetamide is C8H8N2OS.
What is the molecular weight of 2-Cyano-N-(2-thienylmethyl)acetamide?
The molecular weight of 2-Cyano-N-(2-thienylmethyl)acetamide is 180.04 g/mol.
Where can I buy 2-Cyano-N-(2-thienylmethyl)acetamide?
You can request a quote for 2-Cyano-N-(2-thienylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-(2-thienylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-(2-thienylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.