1,3-Dithiolan-2-imine
TL;DR: 1,3-Dithiolan-2-imine (CAS 4472-81-5) is a chemical compound with molecular formula C3H5NS2 and molecular weight 118.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithiolan-2-imine
Also Known As: 1,3-Dithiolan-2-imine, Dithiolan-2-imine, 2-imino-1,3-dithiolane, KST-1A9798, 5-PHENYL-2-THIENYLBORONICACID
| Molecular Formula | C3H5NS2 |
|---|---|
| Molecular Weight | 118.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.98634 |
| Heavy Atoms | 6 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 4472-81-5 |
|---|---|
| SMILES | C1CSC(=N)S1 |
| InChIKey | MQCJIZHQXNUAQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithiolan-2-imine (CAS 4472-81-5), with molecular formula C3H5NS2 and molecular weight 118.99 g/mol. IUPAC: 1,3-dithiolan-2-imine.
Chemical Property Profile of 1,3-Dithiolan-2-imine
Property Insights of 1,3-Dithiolan-2-imine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolan-2-imine. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolan-2-imine. Following Lipinski's Rule of Five, 1,3-Dithiolan-2-imine 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 1,3-Dithiolan-2-imine?
The CAS number of 1,3-Dithiolan-2-imine is 4472-81-5.
What is the molecular formula of 1,3-Dithiolan-2-imine?
The molecular formula of 1,3-Dithiolan-2-imine is C3H5NS2.
What is the molecular weight of 1,3-Dithiolan-2-imine?
The molecular weight of 1,3-Dithiolan-2-imine is 118.99 g/mol.
Where can I buy 1,3-Dithiolan-2-imine?
You can request a quote for 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 1,3-Dithiolan-2-imine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolan-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.