2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide
TL;DR: 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide (CAS 1005252-41-4) is a chemical compound with molecular formula C11H14ClNO2S and molecular weight 259.04337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-7-chloro-1-oxo-3H-1,2-benzothiazol-3-ol
Also Known As: AP-836/41220417, 1,2-Benzisothiazol-3-ol, 7-chloro-2-(1,1-dimethylethyl)-2,3-dihydro-, 1-oxide, 2-tert-butyl-7-chloro-1-oxo-3H-1,2-benzothiazol-3-ol, 2-tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide, 2-(tert-butyl)-7-chloro-3-hydroxy-2,3-dihydrobenzo[d]isothiazol-1-one
Technical Specifications
| Molecular Formula | C11H14ClNO2S |
| Molecular Weight | 259.04337 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.04337 Da |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
| SMILES | CC(C)(C)N1C(C2=C(S1=O)C(=CC=C2)Cl)O |
| InChIKey | GSMJRFOKRRMONM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide
Property Insights of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide. With a topological polar surface area (TPSA) of 59.8 Ų, 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide has 1 hydrogen bond donor(s) and 4 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-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide?
The CAS number of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide is 1005252-41-4.
What is the molecular formula of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide?
The molecular formula of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide is C11H14ClNO2S.
What is the molecular weight of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide?
The molecular weight of 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide is 259.04337 g/mol.
Where can I buy 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide?
You can request a quote for 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-7-chloro-2,3-dihydro-1,2-benzisothiazol-3-ol 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.