1,2-Dithiolan-4-amine
TL;DR: 1,2-Dithiolan-4-amine (CAS 4212-05-9) is a chemical compound with molecular formula C3H7NS2 and molecular weight 121.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dithiolan-4-amine
Also Known As: 1,2-dithiolan-4-amine, dithiolan-4-amine, 1,2-Ditholan-4-amine
| Molecular Formula | C3H7NS2 |
|---|---|
| Molecular Weight | 121.00 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.00199 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 4212-05-9 |
|---|---|
| SMILES | C1C(CSS1)N |
| InChIKey | BXMQAFYZFUUYMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dithiolan-4-amine (CAS 4212-05-9), with molecular formula C3H7NS2 and molecular weight 121.00 g/mol. IUPAC: dithiolan-4-amine.
Chemical Property Profile of 1,2-Dithiolan-4-amine
Property Insights of 1,2-Dithiolan-4-amine
The XLogP value of -0.2 indicates that 1,2-Dithiolan-4-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dithiolan-4-amine. Following Lipinski's Rule of Five, 1,2-Dithiolan-4-amine 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 1,2-Dithiolan-4-amine?
The CAS number of 1,2-Dithiolan-4-amine is 4212-05-9.
What is the molecular formula of 1,2-Dithiolan-4-amine?
The molecular formula of 1,2-Dithiolan-4-amine is C3H7NS2.
What is the molecular weight of 1,2-Dithiolan-4-amine?
The molecular weight of 1,2-Dithiolan-4-amine is 121.00 g/mol.
Where can I buy 1,2-Dithiolan-4-amine?
You can request a quote for 1,2-Dithiolan-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dithiolan-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dithiolan-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.