2-Anilino-5-nitrothiazole
TL;DR: 2-Anilino-5-nitrothiazole (CAS 21166-17-6) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-phenyl-1,3-thiazol-2-amine
Also Known As: 2-Anilino-5-nitrothiazole, Thiazole, 2-anilino-5-nitro-, Thiazole,2-anilino-5-nitro, 5-nitro-N-phenyl-1,3-thiazol-2-amine, 5-nitro-N-phenylthiazol-2-amine
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 21166-17-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC=C(S2)[N+](=O)[O-] |
| InChIKey | WAXMJNXACVJJDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Anilino-5-nitrothiazole (CAS 21166-17-6), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 5-nitro-N-phenyl-1,3-thiazol-2-amine.
Chemical Property Profile of 2-Anilino-5-nitrothiazole
Property Insights of 2-Anilino-5-nitrothiazole
The XLogP value of 3.0 indicates that 2-Anilino-5-nitrothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Anilino-5-nitrothiazole. Following Lipinski's Rule of Five, 2-Anilino-5-nitrothiazole has 1 hydrogen bond donor(s) and 5 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-Anilino-5-nitrothiazole?
The CAS number of 2-Anilino-5-nitrothiazole is 21166-17-6.
What is the molecular formula of 2-Anilino-5-nitrothiazole?
The molecular formula of 2-Anilino-5-nitrothiazole is C9H7N3O2S.
What is the molecular weight of 2-Anilino-5-nitrothiazole?
The molecular weight of 2-Anilino-5-nitrothiazole is 221.03 g/mol.
Where can I buy 2-Anilino-5-nitrothiazole?
You can request a quote for 2-Anilino-5-nitrothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-5-nitrothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-5-nitrothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.