2-Methyl-6-chloro-7-nitrobenzothiazole
TL;DR: 2-Methyl-6-chloro-7-nitrobenzothiazole (CAS 19760-02-2) 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.
6-chloro-2-methyl-7-nitro-1,3-benzothiazole
Also Known As: 2-methyl-6-chloro-7-nitrobenzothiazole, 6-chloro-2-methyl-7-nitro-benzothiazole, 6-chloro-2-methyl-7-nitro-1,3-benzothiazole
| Molecular Formula | C8H5ClN2O2S |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.16632 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97603 |
| Heavy Atoms | 14 |
| Complexity | 523.28076 |
Chemical Identifiers
| CAS Number | 19760-02-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
2-Methyl-6-chloro-7-nitrobenzothiazole (CAS 19760-02-2), with molecular formula C8H5ClN2O2S and molecular weight 227.98 g/mol. IUPAC: 6-chloro-2-methyl-7-nitro-1,3-benzothiazole.
Chemical Property Profile of 2-Methyl-6-chloro-7-nitrobenzothiazole
Property Insights of 2-Methyl-6-chloro-7-nitrobenzothiazole
The XLogP value of 3.16632 indicates that 2-Methyl-6-chloro-7-nitrobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 2-Methyl-6-chloro-7-nitrobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-chloro-7-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-Methyl-6-chloro-7-nitrobenzothiazole?
The CAS number of 2-Methyl-6-chloro-7-nitrobenzothiazole is 19760-02-2.
What is the molecular formula of 2-Methyl-6-chloro-7-nitrobenzothiazole?
The molecular formula of 2-Methyl-6-chloro-7-nitrobenzothiazole is C8H5ClN2O2S.
What is the molecular weight of 2-Methyl-6-chloro-7-nitrobenzothiazole?
The molecular weight of 2-Methyl-6-chloro-7-nitrobenzothiazole is 227.98 g/mol.
Where can I buy 2-Methyl-6-chloro-7-nitrobenzothiazole?
You can request a quote for 2-Methyl-6-chloro-7-nitrobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-chloro-7-nitrobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-chloro-7-nitrobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.