2-Nitro-1,3-benzothiazole
TL;DR: 2-Nitro-1,3-benzothiazole (CAS 23505-64-8) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1,3-benzothiazole
Also Known As: benzothiazole, 2-nitro-, nitrobenzothiazole, 2-nitro-1,3-benzothiazole, 2-Nitrobenzothiazole, Benzothiazole,2-nitro-
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 23505-64-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)[N+](=O)[O-] |
| InChIKey | NSYKYZBOQLCIHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1,3-benzothiazole (CAS 23505-64-8), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 2-nitro-1,3-benzothiazole.
Chemical Property Profile of 2-Nitro-1,3-benzothiazole
Property Insights of 2-Nitro-1,3-benzothiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1,3-benzothiazole. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-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 2-Nitro-1,3-benzothiazole?
The CAS number of 2-Nitro-1,3-benzothiazole is 23505-64-8.
What is the molecular formula of 2-Nitro-1,3-benzothiazole?
The molecular formula of 2-Nitro-1,3-benzothiazole is C7H4N2O2S.
What is the molecular weight of 2-Nitro-1,3-benzothiazole?
The molecular weight of 2-Nitro-1,3-benzothiazole is 180.00 g/mol.
Where can I buy 2-Nitro-1,3-benzothiazole?
You can request a quote for 2-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 2-Nitro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.