2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
TL;DR: 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide (CAS 413575-76-5) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylimidazol-2-yl)sulfanylacetamide
Also Known As: 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide, 2-(1-benzylimidazol-2-yl)sulfanylacetamide, 2-(1-Benzyl-1H-imidazol-2-ylsulfanyl)-acetamide, 2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetamide, Cambridge id 5193612
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 413575-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)N |
| InChIKey | OOZREFZGWLYLTM-UHFFFAOYSA-N |
Product Overview
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide (CAS 413575-76-5), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 2-(1-benzylimidazol-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
Property Insights of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-imidazol-2-yl)thio)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-((1-benzyl-1H-imidazol-2-yl)thio)acetamide?
The CAS number of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide is 413575-76-5.
What is the molecular formula of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide?
The molecular formula of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide is C12H13N3OS.
What is the molecular weight of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide?
The molecular weight of 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide is 247.08 g/mol.
Where can I buy 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide?
You can request a quote for 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.