2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
TL;DR: 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine (CAS 104761-49-1) is a chemical compound with molecular formula C8H17NS2 and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
Also Known As: 2-isopropyl-4,6-dimethyl-1,3,5-dithiazinane, FEMA NO. 3782, 2-ISOPROPYL, 4,6-dimethyl-2-(propan-2-yl)-1,3,5-dithiazinane, 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane, 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
| Molecular Formula | C8H17NS2 |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.08025 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 104761-49-1 |
|---|---|
| SMILES | CC1NC(SC(S1)C(C)C)C |
| InChIKey | ZNOHVVXGIQIPAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine (CAS 104761-49-1), with molecular formula C8H17NS2 and molecular weight 191.08 g/mol. IUPAC: 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane.
Chemical Property Profile of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
Property Insights of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
The XLogP value of 3.4 indicates that 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine 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-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine. Following Lipinski's Rule of Five, 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine 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 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine?
The CAS number of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine is 104761-49-1.
What is the molecular formula of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine?
The molecular formula of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine is C8H17NS2.
What is the molecular weight of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine?
The molecular weight of 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine is 191.08 g/mol.
Where can I buy 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine?
You can request a quote for 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.