![ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate structure](/static/products/3132/313262-54-3.webp)
ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate
TL;DR: ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate (CAS 313262-54-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methylbenzimidazol-2-yl)sulfanylacetate
Also Known As: ChemDiv1_000505, ethyl 2-(1-methylbenzimidazol-2-yl)sulfanylacetate, ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate, F1008-0320, ethyl 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 313262-54-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2N1C |
| InChIKey | MFSPUILGWRSEPV-UHFFFAOYSA-N |
Product Overview
ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate (CAS 313262-54-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: ethyl 2-(1-methylbenzimidazol-2-yl)sulfanylacetate.
Chemical Property Profile of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate
Property Insights of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate has 0 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 ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate?
The CAS number of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate is 313262-54-3.
What is the molecular formula of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate?
The molecular formula of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate is C12H14N2O2S.
What is the molecular weight of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate?
The molecular weight of ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate is 250.08 g/mol.
Where can I buy ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate?
You can request a quote for ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.