1-(Benzylsulfanyl)-2-nitrobenzene
TL;DR: 1-(Benzylsulfanyl)-2-nitrobenzene (CAS 22168-82-7) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-2-nitrobenzene
Also Known As: 1-(Benzylsulfanyl)-2-nitrobenzene, Benzyl(2-nitrophenyl)sulfane, 1-benzylsulfanyl-2-nitrobenzene, benzyl 2-nitrophenyl sulfide, 2-Nitrophenylbenzyl sulfide
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 22168-82-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | BNRRWFHXFMJHDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzylsulfanyl)-2-nitrobenzene (CAS 22168-82-7), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 1-benzylsulfanyl-2-nitrobenzene.
Chemical Property Profile of 1-(Benzylsulfanyl)-2-nitrobenzene
Property Insights of 1-(Benzylsulfanyl)-2-nitrobenzene
The XLogP value of 3.8 indicates that 1-(Benzylsulfanyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzylsulfanyl)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-(Benzylsulfanyl)-2-nitrobenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Benzylsulfanyl)-2-nitrobenzene?
The CAS number of 1-(Benzylsulfanyl)-2-nitrobenzene is 22168-82-7.
What is the molecular formula of 1-(Benzylsulfanyl)-2-nitrobenzene?
The molecular formula of 1-(Benzylsulfanyl)-2-nitrobenzene is C13H11NO2S.
What is the molecular weight of 1-(Benzylsulfanyl)-2-nitrobenzene?
The molecular weight of 1-(Benzylsulfanyl)-2-nitrobenzene is 245.05 g/mol.
Where can I buy 1-(Benzylsulfanyl)-2-nitrobenzene?
You can request a quote for 1-(Benzylsulfanyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfanyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfanyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.