![2-[(4-Nitrophenyl)thio]benzothiazole structure](/static/products/1938/19387-54-3.webp)
2-[(4-Nitrophenyl)thio]benzothiazole
TL;DR: 2-[(4-Nitrophenyl)thio]benzothiazole (CAS 19387-54-3) is a chemical compound with molecular formula C13H8N2O2S2 and molecular weight 288.00272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)sulfanyl-1,3-benzothiazole
Also Known As: 2-[(4-nitrophenyl)thio]benzothiazole, 2-((4-Nitrophenyl)thio)benzothiazole, 2-(4-nitrophenyl)sulfanyl-1,3-benzothiazole, 2-(4-Nitrophenylthio)benzothiazole, 2-[(4-nitrophenyl)sulfanyl]-1,3-benzothiazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8N2O2S2 |
| Molecular Weight | 288.00272 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.00272 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CFKYGISPRYOSCQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Nitrophenyl)thio]benzothiazole
Property Insights of 2-[(4-Nitrophenyl)thio]benzothiazole
The XLogP value of 4.5 indicates that 2-[(4-Nitrophenyl)thio]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)thio]benzothiazole. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)thio]benzothiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(4-Nitrophenyl)thio]benzothiazole?
The CAS number of 2-[(4-Nitrophenyl)thio]benzothiazole is 19387-54-3.
What is the molecular formula of 2-[(4-Nitrophenyl)thio]benzothiazole?
The molecular formula of 2-[(4-Nitrophenyl)thio]benzothiazole is C13H8N2O2S2.
What is the molecular weight of 2-[(4-Nitrophenyl)thio]benzothiazole?
The molecular weight of 2-[(4-Nitrophenyl)thio]benzothiazole is 288.00272 g/mol.
Where can I buy 2-[(4-Nitrophenyl)thio]benzothiazole?
You can request a quote for 2-[(4-Nitrophenyl)thio]benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Nitrophenyl)thio]benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Nitrophenyl)thio]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.