![5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol structure](/static/products/7310/731003-66-0.webp)
5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol
TL;DR: 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol (CAS 731003-66-0) is a chemical compound with molecular formula C14H8F3N3O2S and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-2-thione
Also Known As: 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol, 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-2-thiol, AB00721954-01, 6-nitro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-2-thione, 5-Nitro-1-(3-(trifluoromethyl)phenyl)-1h-benzo[d]imidazole-2-thiol
| Molecular Formula | C14H8F3N3O2S |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 4.61509 |
| Topological Polar Surface Area | 63.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.02893 |
| Heavy Atoms | 23 |
| Complexity | 975.29333 |
Chemical Identifiers
| CAS Number | 731003-66-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])NC2=S)C(F)(F)F |
Product Overview
5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol (CAS 731003-66-0), with molecular formula C14H8F3N3O2S and molecular weight 339.03 g/mol. IUPAC: 6-nitro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-2-thione.
Chemical Property Profile of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol
Property Insights of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol
The XLogP value of 4.61509 indicates that 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol. Following Lipinski's Rule of Five, 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol has 1 hydrogen bond donor(s) and 3 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-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol?
The CAS number of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol is 731003-66-0.
What is the molecular formula of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol?
The molecular formula of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol is C14H8F3N3O2S.
What is the molecular weight of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol?
The molecular weight of 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol is 339.03 g/mol.
Where can I buy 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol?
You can request a quote for 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-1-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.