5-Chloro-2-methyl-6-nitro-1,3-benzothiazole
TL;DR: 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole (CAS 5264-77-7) is a chemical compound with molecular formula C8H5ClN2O2S and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-6-nitro-1,3-benzothiazole
Also Known As: 5-chloro-2-methyl-6-nitro-1,3-benzothiazole, 5-Chloro-2-methyl-6-nitrobenzo[d]thiazole, 5-Chloro-2-methyl-6-nitro-benzothiazole, 5-chloro-2-methyl-6-nitrobenzothiazole, BAS 00263144
| Molecular Formula | C8H5ClN2O2S |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.97603 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 5264-77-7 |
|---|---|
| SMILES | CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl |
| InChIKey | HCIFTTCECGSAPA-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-methyl-6-nitro-1,3-benzothiazole (CAS 5264-77-7), with molecular formula C8H5ClN2O2S and molecular weight 227.98 g/mol. IUPAC: 5-chloro-2-methyl-6-nitro-1,3-benzothiazole.
Chemical Property Profile of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole
Property Insights of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole
The XLogP value of 3.2 indicates that 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole. Following Lipinski's Rule of Five, 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole 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 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole?
The CAS number of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole is 5264-77-7.
What is the molecular formula of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole?
The molecular formula of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole is C8H5ClN2O2S.
What is the molecular weight of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole?
The molecular weight of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole is 227.98 g/mol.
Where can I buy 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole?
You can request a quote for 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.