Benzothiazole, 2-methyl-6-nitro-
TL;DR: Benzothiazole, 2-methyl-6-nitro- (CAS 2941-63-1) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-nitro-1,3-benzothiazole
Also Known As: 2-Methyl-6-nitrobenzothiazole, 2-methyl-6-nitro-1,3-benzothiazole, 2-Methyl-6-nitrobenzo[d]thiazole, Benzothiazole, 2-methyl-6-nitro-, 6-Nitro-2-methylbenzothiazole
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| Solubility | 19.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 2941-63-1 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | YAQKYKGFPQPPQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-methyl-6-nitro- (CAS 2941-63-1), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-methyl-6-nitro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-methyl-6-nitro-
Property Insights of Benzothiazole, 2-methyl-6-nitro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole, 2-methyl-6-nitro-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-methyl-6-nitro-. Following Lipinski's Rule of Five, Benzothiazole, 2-methyl-6-nitro- has 0 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 Benzothiazole, 2-methyl-6-nitro-?
The CAS number of Benzothiazole, 2-methyl-6-nitro- is 2941-63-1.
What is the molecular formula of Benzothiazole, 2-methyl-6-nitro-?
The molecular formula of Benzothiazole, 2-methyl-6-nitro- is C8H6N2O2S.
What is the molecular weight of Benzothiazole, 2-methyl-6-nitro-?
The molecular weight of Benzothiazole, 2-methyl-6-nitro- is 194.01 g/mol.
Where can I buy Benzothiazole, 2-methyl-6-nitro-?
You can request a quote for Benzothiazole, 2-methyl-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-methyl-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-methyl-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.