2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide
TL;DR: 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide (CAS 102362-98-1) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-2H-1,2-benzothiazole 1,1-dioxide
Also Known As: 3,3-dimethyl-2H-1,2-benzothiazole 1,1-dioxide, 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide, starbld0019127, 3,3-Dimethyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide, 1,2-Benzisothiazole, 2,3-dihydro-3,3-dimethyl-, 1,1-dioxide
Technical Specifications
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.05106 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.05106 Da |
| Heavy Atoms | 13 |
| Complexity | 302.0 |
| SMILES | CC1(C2=CC=CC=C2S(=O)(=O)N1)C |
| InChIKey | XHTPPQBDONGRAF-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide
Property Insights of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 54.6 Ų, 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide 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 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide?
The CAS number of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide is 102362-98-1.
What is the molecular formula of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide?
The molecular formula of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide is C9H11NO2S.
What is the molecular weight of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide?
The molecular weight of 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide is 197.05106 g/mol.
Where can I buy 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide?
You can request a quote for 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydro-3,3-dimethyl-1,2-benzisothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.