![ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate structure](/static/products/1052/1052548-38-5.webp)
ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
TL;DR: ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate (CAS 1052548-38-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Also Known As: BAS 00717509, ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate, ethyl [(5-methyl-1H-benzimidazol-2-yl)thio]acetate, ethyl 2-(5-methylbenzimidazol-2-ylthio)acetate, AB00082588-01
Technical Specifications
| Molecular Formula | C12H14N2O2S |
| Molecular Weight | 250.0776 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0776 Da |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
| SMILES | CCOC(=O)CSC1=NC2=C(N1)C=C(C=C2)C |
| InChIKey | VPZMCPGOZOYGHR-UHFFFAOYSA-N |
Chemical Property Profile of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Property Insights of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
The XLogP value of 3.0 indicates that ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate 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
What is the CAS number of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate?
The CAS number of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate is 1052548-38-5.
What is the molecular formula of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate?
The molecular formula of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate is C12H14N2O2S.
What is the molecular weight of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate?
The molecular weight of ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate is 250.0776 g/mol.
Where can I buy ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate?
You can request a quote for ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate?
Yes, CoreyChem provides custom synthesis services for ethyl [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.