2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
TL;DR: 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane (CAS 101607-44-7) is a chemical compound with molecular formula C9H19NS2 and molecular weight 205.09589 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
Also Known As: 2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane, 4,6-Dichloro-1H-indole, FEMA No. 3781, 2-isobutyl-, 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane, 2-ISOBUTYL-4,6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H19NS2 |
| Molecular Weight | 205.09589 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.09589 Da |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| SMILES | CC1NC(SC(S1)CC(C)C)C |
| InChIKey | FVPPILNIVWRBNY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
Property Insights of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
The XLogP value of 3.8 indicates that 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane. Following Lipinski's Rule of Five, 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane 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
What is the CAS number of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane?
The CAS number of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane is 101607-44-7.
What is the molecular formula of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane?
The molecular formula of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane is C9H19NS2.
What is the molecular weight of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane?
The molecular weight of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane is 205.09589 g/mol.
Where can I buy 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane?
You can request a quote for 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane?
Yes, CoreyChem provides custom synthesis services for 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.