5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole
TL;DR: 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole (CAS 15639-38-0) is a chemical compound with molecular formula C6HCl2N3O2S and molecular weight 248.91666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dichloro-4-nitro-2,1,3-benzothiadiazole
Also Known As: C6HCl2N3O2S, 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole, 5,7-Dichloro-4-nitrobenzo[c][1,2,5]thiadiazole, 5,7-Dichloro-4-nitro-benzo[1,2,5]thiadiazole, 2,1,3-Benzothiadiazole, 5,7-dichloro-4-nitro-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HCl2N3O2S |
| Molecular Weight | 248.91666 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.91666 Da |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
| SMILES | C1=C(C2=NSN=C2C(=C1Cl)[N+](=O)[O-])Cl |
| InChIKey | VMNSEFBKSLZAEC-UHFFFAOYSA-N |
Chemical Property Profile of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole
Property Insights of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole 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 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole?
The CAS number of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole is 15639-38-0.
What is the molecular formula of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole?
The molecular formula of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole is C6HCl2N3O2S.
What is the molecular weight of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole?
The molecular weight of 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole is 248.91666 g/mol.
Where can I buy 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole?
You can request a quote for 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole?
Yes, CoreyChem provides custom synthesis services for 5,7-Dichloro-4-nitro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.