5-(3-硝基苯基)-1,3,4-噻二唑-2-胺
TL;DR: 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 (CAS 61424-26-8) is a chemical compound with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-硝基苯基)-1,3,4-噻二唑-2-胺
5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine, 3-benzylaniline, 5-(3-nitrophenyl)[1,3,4]thiadiazol-2-ylamine, 2-amino-5-(3-nitrophenyl)-1,3,4-thiadiazole, 5-(3-Nitro-phenyl)-[1,3,4]thiadiazol-2-ylamine
| Molecular Formula | C8H6N4O2S |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02115 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 61424-26-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N |
| InChIKey | IQTFBFZCUYGFES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 (CAS 61424-26-8), with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol. IUPAC: 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺
Property Insights of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺. Following Lipinski's Rule of Five, 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 has 1 hydrogen bond donor(s) and 6 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-(3-硝基苯基)-1,3,4-噻二唑-2-胺?
The CAS number of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 is 61424-26-8.
What is the molecular formula of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺?
The molecular formula of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 is C8H6N4O2S.
What is the molecular weight of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺?
The molecular weight of 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 is 222.02 g/mol.
Where can I buy 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺?
You can request a quote for 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-硝基苯基)-1,3,4-噻二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.