4-Methyl-1,3-dithiolane-2-thione
TL;DR: 4-Methyl-1,3-dithiolane-2-thione (CAS 1227412-92-1) is a chemical compound with molecular formula C4H6S3 and molecular weight 149.96317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1,3-dithiolane-2-thione
Also Known As: 1, 4-methyl, 4-methyl-1,3-dithiolane-2-thione, propylene tri-thiocarbonate, 1,- cyclic carbonotrithioate, 1,3-Dithiolane-2-thione, 4-methyl
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6S3 |
| Molecular Weight | 149.96317 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.96317 Da |
| Heavy Atoms | 7 |
| Complexity | 88.0 |
| SMILES | CC1CSC(=S)S1 |
| InChIKey | OVMVMMNHNMZUAS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-1,3-dithiolane-2-thione
Property Insights of 4-Methyl-1,3-dithiolane-2-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,3-dithiolane-2-thione. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,3-dithiolane-2-thione. Following Lipinski's Rule of Five, 4-Methyl-1,3-dithiolane-2-thione 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
What is the CAS number of 4-Methyl-1,3-dithiolane-2-thione?
The CAS number of 4-Methyl-1,3-dithiolane-2-thione is 1227412-92-1.
What is the molecular formula of 4-Methyl-1,3-dithiolane-2-thione?
The molecular formula of 4-Methyl-1,3-dithiolane-2-thione is C4H6S3.
What is the molecular weight of 4-Methyl-1,3-dithiolane-2-thione?
The molecular weight of 4-Methyl-1,3-dithiolane-2-thione is 149.96317 g/mol.
Where can I buy 4-Methyl-1,3-dithiolane-2-thione?
You can request a quote for 4-Methyl-1,3-dithiolane-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-1,3-dithiolane-2-thione?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-1,3-dithiolane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.