![1-Nitrodithieno[3,4-b:3,4-d]pyridine structure](/static/products/132/132491-67-9.webp)
1-Nitrodithieno[3,4-b:3,4-d]pyridine
TL;DR: 1-Nitrodithieno[3,4-b:3,4-d]pyridine (CAS 132491-67-9) is a chemical compound with molecular formula C9H4N2O2S2 and molecular weight 235.97142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-4,11-dithia-7-azatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,9-pentaene
Also Known As: 1-nitrodithieno[3,4-b:3,4-d]pyridine, 1-Nitrodithieno[2,3-a:3/',4/'-d]pyridine, 1-Nitrodithieno[3,4-b:3 ,4 -d]pyridine, 1-nitrothiopheno[3,4-d]thiopheno[3,4-b]pyridine, AI-942/42302163
Technical Specifications
| Molecular Formula | C9H4N2O2S2 |
| Molecular Weight | 235.97142 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.97142 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | C1=C2C=NC3=CSC(=C3C2=CS1)[N+](=O)[O-] |
| InChIKey | YYQGWOKSCBOKIW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitrodithieno[3,4-b:3,4-d]pyridine
Property Insights of 1-Nitrodithieno[3,4-b:3,4-d]pyridine
The XLogP value of 3.0 indicates that 1-Nitrodithieno[3,4-b:3,4-d]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrodithieno[3,4-b:3,4-d]pyridine. Following Lipinski's Rule of Five, 1-Nitrodithieno[3,4-b:3,4-d]pyridine 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 1-Nitrodithieno[3,4-b:3,4-d]pyridine?
The CAS number of 1-Nitrodithieno[3,4-b:3,4-d]pyridine is 132491-67-9.
What is the molecular formula of 1-Nitrodithieno[3,4-b:3,4-d]pyridine?
The molecular formula of 1-Nitrodithieno[3,4-b:3,4-d]pyridine is C9H4N2O2S2.
What is the molecular weight of 1-Nitrodithieno[3,4-b:3,4-d]pyridine?
The molecular weight of 1-Nitrodithieno[3,4-b:3,4-d]pyridine is 235.97142 g/mol.
Where can I buy 1-Nitrodithieno[3,4-b:3,4-d]pyridine?
You can request a quote for 1-Nitrodithieno[3,4-b:3,4-d]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitrodithieno[3,4-b:3,4-d]pyridine?
Yes, CoreyChem provides custom synthesis services for 1-Nitrodithieno[3,4-b:3,4-d]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.