2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide
TL;DR: 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide (CAS 145025-30-5) is a chemical compound with molecular formula C12H17NOS2 and molecular weight 255.07515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,3-dimethylbutyl)-1λ4,3,2-benzodithiazole 1-oxide
Also Known As: 2-(3,3-dimethylbutyl)-1, 1,3,2-Benzodithiazole, 2-(3,3-dimethylbutyl)-, 1-oxide, 2-(3,3-Dimethylbutyl)-1,3,2-benzodithiazole 1-oxide, 2-(3,3-dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide, 2-(3,3-Dimethylbutyl)benzo[d]1,3,2-dithiazoline, 1-oxide
Technical Specifications
| Molecular Formula | C12H17NOS2 |
| Molecular Weight | 255.07515 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.07515 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | CC(C)(C)CCN1SC2=CC=CC=C2S1=O |
| InChIKey | YZEXLQLFAQCUHC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide
Property Insights of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide
The XLogP value of 3.8 indicates that 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide. Following Lipinski's Rule of Five, 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide 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 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide?
The CAS number of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide is 145025-30-5.
What is the molecular formula of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide?
The molecular formula of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide is C12H17NOS2.
What is the molecular weight of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide?
The molecular weight of 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide is 255.07515 g/mol.
Where can I buy 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide?
You can request a quote for 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide?
Yes, CoreyChem provides custom synthesis services for 2-(3,3-Dimethylbutyl)-1$l^{4},3,2-benzodithiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.