2-Methyl-1,3-benzothiazole-5,6-diol
TL;DR: 2-Methyl-1,3-benzothiazole-5,6-diol (CAS 68252-56-2) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-benzothiazole-5,6-diol
Also Known As: 2-methyl-1,3-benzothiazole-5,6-diol, 2-methylbenzothiazole-5,6-diol, 2-Methyl-benzothiazole-5,6-diol, 5,6-Benzothiazolediol, 2-methyl-, 2-methylbenzo[d]thiazole-5,6-diol
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 68252-56-2 |
|---|---|
| SMILES | CC1=NC2=CC(=C(C=C2S1)O)O |
| InChIKey | SCVRMYXQAOKGMU-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,3-benzothiazole-5,6-diol (CAS 68252-56-2), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 2-methyl-1,3-benzothiazole-5,6-diol.
Chemical Property Profile of 2-Methyl-1,3-benzothiazole-5,6-diol
Property Insights of 2-Methyl-1,3-benzothiazole-5,6-diol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,3-benzothiazole-5,6-diol. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,3-benzothiazole-5,6-diol. Following Lipinski's Rule of Five, 2-Methyl-1,3-benzothiazole-5,6-diol has 2 hydrogen bond donor(s) and 4 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-1,3-benzothiazole-5,6-diol?
The CAS number of 2-Methyl-1,3-benzothiazole-5,6-diol is 68252-56-2.
What is the molecular formula of 2-Methyl-1,3-benzothiazole-5,6-diol?
The molecular formula of 2-Methyl-1,3-benzothiazole-5,6-diol is C8H7NO2S.
What is the molecular weight of 2-Methyl-1,3-benzothiazole-5,6-diol?
The molecular weight of 2-Methyl-1,3-benzothiazole-5,6-diol is 181.02 g/mol.
Where can I buy 2-Methyl-1,3-benzothiazole-5,6-diol?
You can request a quote for 2-Methyl-1,3-benzothiazole-5,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-benzothiazole-5,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-benzothiazole-5,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.