RefChem:339806
TL;DR: RefChem:339806 (CAS 16181-75-2) is a chemical compound with molecular formula C7H17Cl2N3S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride
Also Known As: Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride, 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N,N-dimethylethanamine dihydrochloride, 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride, RefChem:339806
| Molecular Formula | C7H17Cl2N3S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | -8.19 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.05202 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 16181-75-2 |
|---|---|
| SMILES | C[NH+](C)CCSC1=NCC[NH2+]1.[Cl-].[Cl-] |
| InChIKey | URUZINKWOOUTTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:339806 (CAS 16181-75-2), with molecular formula C7H17Cl2N3S and molecular weight 245.05 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:339806
Property Insights of RefChem:339806
The XLogP value of -8.19 indicates that RefChem:339806 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.7 Ų, RefChem:339806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339806 has 2 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 RefChem:339806?
The CAS number of RefChem:339806 is 16181-75-2.
What is the molecular formula of RefChem:339806?
The molecular formula of RefChem:339806 is C7H17Cl2N3S.
What is the molecular weight of RefChem:339806?
The molecular weight of RefChem:339806 is 245.05 g/mol.
Where can I buy RefChem:339806?
You can request a quote for RefChem:339806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339806?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.