2-Chloro-6-nitrobenzothiazole
TL;DR: 2-Chloro-6-nitrobenzothiazole (CAS 2407-11-6) is a chemical compound with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-nitro-1,3-benzothiazole
Also Known As: 2-Chloro-6-nitrobenzothiazole, 2-chloro-6-nitrobenzo[d]thiazole, 2-chloro-6-nitro-1,3-benzothiazole, null, 2-Chloro-6-nitro-benzothiazole
| Molecular Formula | C7H3ClN2O2S |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.96037 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2407-11-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)Cl |
| InChIKey | KUCSJGBXJBQHNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-nitrobenzothiazole (CAS 2407-11-6), with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol. IUPAC: 2-chloro-6-nitro-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-6-nitrobenzothiazole
Property Insights of 2-Chloro-6-nitrobenzothiazole
The XLogP value of 3.4 indicates that 2-Chloro-6-nitrobenzothiazole 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 2-Chloro-6-nitrobenzothiazole. Following Lipinski's Rule of Five, 2-Chloro-6-nitrobenzothiazole 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 2-Chloro-6-nitrobenzothiazole?
The CAS number of 2-Chloro-6-nitrobenzothiazole is 2407-11-6.
What is the molecular formula of 2-Chloro-6-nitrobenzothiazole?
The molecular formula of 2-Chloro-6-nitrobenzothiazole is C7H3ClN2O2S.
What is the molecular weight of 2-Chloro-6-nitrobenzothiazole?
The molecular weight of 2-Chloro-6-nitrobenzothiazole is 213.96 g/mol.
Where can I buy 2-Chloro-6-nitrobenzothiazole?
You can request a quote for 2-Chloro-6-nitrobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-nitrobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-nitrobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.