2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid
TL;DR: 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid (CAS 29490-12-8) is a chemical compound with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid
Also Known As: 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid, 2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid, 2-(2-ETHYLTHIOETHYLTHIO)-5-SULFOBENZIMIDAZOLE, 1h-benzimidazole-5-sulfonic acid, 2-[[2-(ethylthio)ethyl]thio]-, 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulfonic acid
| Molecular Formula | C11H14N2O3S3 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.01666 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 29490-12-8 |
|---|---|
| SMILES | CCSCCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O |
| InChIKey | UJPJKGTWFDTGSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid (CAS 29490-12-8), with molecular formula C11H14N2O3S3 and molecular weight 318.02 g/mol. IUPAC: 2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid.
Chemical Property Profile of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid
Property Insights of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid. The TPSA of 142.0 Ų indicates high polarity, suggesting 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid has 2 hydrogen bond donor(s) and 6 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-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The CAS number of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid is 29490-12-8.
What is the molecular formula of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The molecular formula of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid is C11H14N2O3S3.
What is the molecular weight of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The molecular weight of 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid is 318.02 g/mol.
Where can I buy 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid?
You can request a quote for 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.