![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide structure](/static/products/4284/428485-87-4.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428485-87-4) is a chemical compound with molecular formula C20H13FN6O3S and molecular weight 436.07538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00108674-01, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-nitro-benzamide, 3-[2-(4-FLUOROPHENYL)-1,2,3-BENZOTRIAZOL-5-YL]-1-(2-NITROBENZOYL)THIOUREA
Technical Specifications
| Molecular Formula | C20H13FN6O3S |
| Molecular Weight | 436.07538 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.07538 Da |
| Heavy Atoms | 31 |
| Complexity | 686.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-] |
| InChIKey | WSDGUEHOQDPRRN-UHFFFAOYSA-N |
Product Description
Applications: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428485-87-4) is a fine chemical with the molecular formula C20H13FN6O3S and a molecular weight of 436.08 g/mol. Synonyms include AB00108674-01 and N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
The XLogP value of 4.9 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is 428485-87-4.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is C20H13FN6O3S.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is 436.07538 g/mol.
What are the applications of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.