1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)
TL;DR: 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) (CAS 1003-39-0) is a chemical compound with molecular formula C4H8ClNS2 and molecular weight 168.97867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1,3-dithiolan-2-imine;hydrochloride
Also Known As: 4-Methyl1,3-dithiolan-2-iminium chloride, 4-Methyl-1,3-dithiolan-2-imine hydrochloride, KST-1A0326, 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride, 4-Methyl-2-imino-1,3-dithiolane hydrochloride
Technical Specifications
| Molecular Formula | C4H8ClNS2 |
| Molecular Weight | 168.97867 g/mol |
| XLogP | 2.21 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.97867 Da |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
| SMILES | CC1CSC(=N)S1.Cl |
| InChIKey | UCXWOQXSESRMSP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)
Property Insights of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1). The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1). Following Lipinski's Rule of Five, 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)?
The CAS number of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) is 1003-39-0.
What is the molecular formula of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)?
The molecular formula of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) is C4H8ClNS2.
What is the molecular weight of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)?
The molecular weight of 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) is 168.97867 g/mol.
Where can I buy 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)?
You can request a quote for 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1)?
Yes, CoreyChem provides custom synthesis services for 1,3-Dithiolan-2-imine, 4-methyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.