N-phenyl-1,3-dithiolan-2-imine
TL;DR: N-phenyl-1,3-dithiolan-2-imine (CAS 705-65-7) is a chemical compound with molecular formula C9H9NS2 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-1,3-dithiolan-2-imine
Also Known As: N-phenyl-1,3-dithiolan-2-imine, 2-phenylimino-1,3-dithiolane, N-Phenyl-1,3-dithiolane-2-imine, 1,3-dithiolan-2-ylidene-phenyl-amine, [1,3]dithiolan-2-ylidene-phenyl-amine
| Molecular Formula | C9H9NS2 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01764 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 705-65-7 |
|---|---|
| SMILES | C1CSC(=NC2=CC=CC=C2)S1 |
| InChIKey | NIHKXHCRGWYVLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenyl-1,3-dithiolan-2-imine (CAS 705-65-7), with molecular formula C9H9NS2 and molecular weight 195.02 g/mol. IUPAC: N-phenyl-1,3-dithiolan-2-imine.
Chemical Property Profile of N-phenyl-1,3-dithiolan-2-imine
Property Insights of N-phenyl-1,3-dithiolan-2-imine
The XLogP value of 3.2 indicates that N-phenyl-1,3-dithiolan-2-imine 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 N-phenyl-1,3-dithiolan-2-imine. Following Lipinski's Rule of Five, N-phenyl-1,3-dithiolan-2-imine 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 N-phenyl-1,3-dithiolan-2-imine?
The CAS number of N-phenyl-1,3-dithiolan-2-imine is 705-65-7.
What is the molecular formula of N-phenyl-1,3-dithiolan-2-imine?
The molecular formula of N-phenyl-1,3-dithiolan-2-imine is C9H9NS2.
What is the molecular weight of N-phenyl-1,3-dithiolan-2-imine?
The molecular weight of N-phenyl-1,3-dithiolan-2-imine is 195.02 g/mol.
Where can I buy N-phenyl-1,3-dithiolan-2-imine?
You can request a quote for N-phenyl-1,3-dithiolan-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-1,3-dithiolan-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-1,3-dithiolan-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.