methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
TL;DR: methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate (CAS 67497-51-2) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
Also Known As: Maybridge4_001930, methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate, BAS 00687448, methyl 2-benzimidazol-2-ylthioacetate, 2-(1H-benzimidazol-2-ylthio)acetic acid methyl ester
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 67497-51-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=CC=CC=C2N1 |
| InChIKey | LQNXNSNLYCZSOL-UHFFFAOYSA-N |
Product Overview
methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate (CAS 67497-51-2), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate.
Chemical Property Profile of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
Property Insights of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate. Following Lipinski's Rule of Five, methyl 2-(1H-benzimidazol-2-ylsulfanyl)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
Frequently Asked Questions
What is the CAS number of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate?
The CAS number of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate is 67497-51-2.
What is the molecular formula of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate?
The molecular formula of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate is C10H10N2O2S.
What is the molecular weight of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate?
The molecular weight of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate is 222.05 g/mol.
Where can I buy methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate?
You can request a quote for methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.