2-Tert-butyl-1,2-benzothiazol-3-one
TL;DR: 2-Tert-butyl-1,2-benzothiazol-3-one (CAS 35159-95-6) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,2-benzothiazol-3-one
Also Known As: 2-(tert-butyl)benzo[d]isothiazol-3(2H)-one, 2-tert-Butyl-1,2-benzisothiazole-3(2H)-one, J1.684.640F, 2-(tert-Butyl)-1,2-benzoisothiazole-3(2H)-one, 2-tert-butyl-2,3-dihydro-1,2-benzothiazol-3-one
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.818 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 515.8024 |
Chemical Identifiers
| CAS Number | 35159-95-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=CC=CC=C2S1 |
Product Overview
2-Tert-butyl-1,2-benzothiazol-3-one (CAS 35159-95-6), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 2-tert-butyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Tert-butyl-1,2-benzothiazol-3-one
Property Insights of 2-Tert-butyl-1,2-benzothiazol-3-one
The XLogP value of 2.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 22.0 Ų, 2-Tert-butyl-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 2 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-Tert-butyl-1,2-benzothiazol-3-one?
The CAS number of 2-Tert-butyl-1,2-benzothiazol-3-one is 35159-95-6.
What is the molecular formula of 2-Tert-butyl-1,2-benzothiazol-3-one?
The molecular formula of 2-Tert-butyl-1,2-benzothiazol-3-one is C11H13NOS.
What is the molecular weight of 2-Tert-butyl-1,2-benzothiazol-3-one?
The molecular weight of 2-Tert-butyl-1,2-benzothiazol-3-one is 207.07 g/mol.
Where can I buy 2-Tert-butyl-1,2-benzothiazol-3-one?
You can request a quote for 2-Tert-butyl-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.