3-imino-5-phenyl-3H-1,2-dithiole
TL;DR: 3-imino-5-phenyl-3H-1,2-dithiole (CAS 46036-68-4) is a chemical compound with molecular formula C9H7NS2 and molecular weight 193.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyldithiol-3-imine
Also Known As: PDTI, 5-phenyldithiol-3-imine, 3-Imino-5-phenyl-3H-1,2-dithiole, 5-phenyl-3H-1,2-dithiol-3-imine, 3H-1,2-Dithiol-3-imine, 5-phenyl-
| Molecular Formula | C9H7NS2 |
|---|---|
| Molecular Weight | 193.00 g/mol |
| LogP | 2.95607 |
| Topological Polar Surface Area | 23.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.002 |
| Heavy Atoms | 12 |
| Complexity | 413.3485 |
Chemical Identifiers
| CAS Number | 46036-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=N)SS2 |
Product Overview
3-imino-5-phenyl-3H-1,2-dithiole (CAS 46036-68-4), with molecular formula C9H7NS2 and molecular weight 193.00 g/mol. IUPAC: 5-phenyldithiol-3-imine.
Chemical Property Profile of 3-imino-5-phenyl-3H-1,2-dithiole
Property Insights of 3-imino-5-phenyl-3H-1,2-dithiole
The XLogP value of 2.95607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-imino-5-phenyl-3H-1,2-dithiole. With a topological polar surface area (TPSA) of 23.85 Ų, 3-imino-5-phenyl-3H-1,2-dithiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-imino-5-phenyl-3H-1,2-dithiole has 1 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 3-imino-5-phenyl-3H-1,2-dithiole?
The CAS number of 3-imino-5-phenyl-3H-1,2-dithiole is 46036-68-4.
What is the molecular formula of 3-imino-5-phenyl-3H-1,2-dithiole?
The molecular formula of 3-imino-5-phenyl-3H-1,2-dithiole is C9H7NS2.
What is the molecular weight of 3-imino-5-phenyl-3H-1,2-dithiole?
The molecular weight of 3-imino-5-phenyl-3H-1,2-dithiole is 193.00 g/mol.
Where can I buy 3-imino-5-phenyl-3H-1,2-dithiole?
You can request a quote for 3-imino-5-phenyl-3H-1,2-dithiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-imino-5-phenyl-3H-1,2-dithiole?
Yes, KEHONG BIO provides custom synthesis services for 3-imino-5-phenyl-3H-1,2-dithiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.