Nimidane
TL;DR: Nimidane (CAS 50435-25-1) is a chemical compound with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-1,3-dithietan-2-imine
Also Known As: Nimidane, Nimidano, Nimidanum, Abequito, Nimidano [INN-Spanish]
| Molecular Formula | C9H8ClNS2 |
|---|---|
| Molecular Weight | 228.98 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97867 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 50435-25-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N=C2SCS2 |
| InChIKey | XYJUOQPINFXBEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nimidane (CAS 50435-25-1), with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-1,3-dithietan-2-imine.
Chemical Property Profile of Nimidane
Property Insights of Nimidane
The XLogP value of 4.6 indicates that Nimidane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimidane. Following Lipinski's Rule of Five, Nimidane has 0 hydrogen bond donor(s) and 3 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 Nimidane?
The CAS number of Nimidane is 50435-25-1.
What is the molecular formula of Nimidane?
The molecular formula of Nimidane is C9H8ClNS2.
What is the molecular weight of Nimidane?
The molecular weight of Nimidane is 228.98 g/mol.
Where can I buy Nimidane?
You can request a quote for Nimidane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimidane?
Yes, KEHONG BIO provides custom synthesis services for Nimidane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.