1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene
TL;DR: 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene (CAS 112071-03-1) is a chemical compound with molecular formula C12H8ClNO4S2 and molecular weight 328.9583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)sulfonylsulfanyl-2-nitrobenzene
Also Known As: 1-(4-chlorophenyl)sulfonylsulfanyl-2-nitrobenzene, 1-(4-chlorophenyl)sulfonylsulfanyl-2-nitro-benzene, 4-chloro-benzenethiosulfonic acid S-(2-nitro-phenyl ester), S-(2-(Hydroxy(oxido)amino)phenyl) 4-chlorobenzenesulfonothioate
Technical Specifications
| Molecular Formula | C12H8ClNO4S2 |
| Molecular Weight | 328.9583 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.9583 Da |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | DCGXFUGLPORMCX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene
Property Insights of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene
The XLogP value of 3.6 indicates that 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene 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-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene?
The CAS number of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene is 112071-03-1.
What is the molecular formula of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene?
The molecular formula of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene is C12H8ClNO4S2.
What is the molecular weight of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene?
The molecular weight of 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene is 328.9583 g/mol.
Where can I buy 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene?
You can request a quote for 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)sulfonylsulfanyl-2-nitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.