Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate
TL;DR: Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate (CAS 94231-61-5) is a chemical compound with molecular formula C10H11KN2O3S2 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate
Also Known As: EINECS 303-880-7, Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate, Potassium 3-(1H-benzimidazol-2-ylthio)propanesulfonate, potassium 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate, 3-(1H-Benzimidazol-2-ylthio)-1-propanesulfonic acid potassium salt
| Molecular Formula | C10H11KN2O3S2 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | -1.4057 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.9848 |
| Heavy Atoms | 18 |
| Complexity | 579.36523 |
Chemical Identifiers
| CAS Number | 94231-61-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCCCS(=O)(=O)[O-].[K+] |
Product Overview
Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate (CAS 94231-61-5), with molecular formula C10H11KN2O3S2 and molecular weight 309.98 g/mol. IUPAC: potassium 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate.
Chemical Property Profile of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate
Property Insights of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate
The XLogP value of -1.4057 indicates that Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate. Following Lipinski's Rule of Five, Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate has 1 hydrogen bond donor(s) and 5 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 Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate?
The CAS number of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate is 94231-61-5.
What is the molecular formula of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate?
The molecular formula of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate is C10H11KN2O3S2.
What is the molecular weight of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate?
The molecular weight of Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate is 309.98 g/mol.
Where can I buy Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate?
You can request a quote for Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.