2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide
TL;DR: 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide (CAS 84705-07-7) is a chemical compound with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-dioxo-1,2-benzothiazole-3-thione
Also Known As: 2-methyl-1,1-dioxo-1,2-benzothiazole-3-thione, 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide, 1,2-Benzisothiazole-3(2H)-thione,2-methyl-, 1,1-dioxide, 2,3-Dihydro-2-methyl-3-thioxo-benzisothiazol-1,1-dioxid, 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide #
| Molecular Formula | C8H7NO2S2 |
|---|---|
| Molecular Weight | 212.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.99182 |
| Heavy Atoms | 13 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 84705-07-7 |
|---|---|
| SMILES | CN1C(=S)C2=CC=CC=C2S1(=O)=O |
| InChIKey | RRLRWJKWMRETNS-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide (CAS 84705-07-7), with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol. IUPAC: 2-methyl-1,1-dioxo-1,2-benzothiazole-3-thione.
Chemical Property Profile of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide
Property Insights of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide. Following Lipinski's Rule of Five, 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide 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
Frequently Asked Questions
What is the CAS number of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide?
The CAS number of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide is 84705-07-7.
What is the molecular formula of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide?
The molecular formula of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide is C8H7NO2S2.
What is the molecular weight of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide?
The molecular weight of 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide is 212.99 g/mol.
Where can I buy 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide?
You can request a quote for 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.