4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole
TL;DR: 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole (CAS 16322-24-0) is a chemical compound with molecular formula C13H9N3O3S and molecular weight 287.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole
Also Known As: 4-benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole, 4-(benzylthio)-7-nitro-2,1,3-benzoxadiazole, Benzofurazan, 4-nitro-4-[(phenylmethyl)thio]-, 4-(benzylthio)-7-nitrobenzo[c][1,2,5]oxadiazole, 4-(BENZYLSULFANYL)-7-NITRO-2,1,3-BENZOXADIAZOLE
Technical Specifications
| Molecular Formula | C13H9N3O3S |
| Molecular Weight | 287.03647 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.03647 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | XEAGLFCHDKJWSY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole
Property Insights of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole
The XLogP value of 3.0 indicates that 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole?
The CAS number of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole is 16322-24-0.
What is the molecular formula of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole?
The molecular formula of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole is C13H9N3O3S.
What is the molecular weight of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole?
The molecular weight of 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole is 287.03647 g/mol.
Where can I buy 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole?
You can request a quote for 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole?
Yes, CoreyChem provides custom synthesis services for 4-Benzylsulfanyl-7-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.