2-Nitrophenyl phenyl sulfide
TL;DR: 2-Nitrophenyl phenyl sulfide (CAS 4171-83-9) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-phenylsulfanylbenzene
Also Known As: 2-Nitrophenyl phenyl sulfide, 2-Nitrodiphenyl sulfide, 1-nitro-2-phenylsulfanylbenzene, 2-Nitrodiphenylsulfide, 1-nitro-2-(phenylsulfanyl)benzene
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 4171-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | ZPWNCSAEXUDWTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenyl phenyl sulfide (CAS 4171-83-9), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 1-nitro-2-phenylsulfanylbenzene.
Chemical Property Profile of 2-Nitrophenyl phenyl sulfide
Property Insights of 2-Nitrophenyl phenyl sulfide
The XLogP value of 3.8 indicates that 2-Nitrophenyl phenyl sulfide 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 2-Nitrophenyl phenyl sulfide. Following Lipinski's Rule of Five, 2-Nitrophenyl phenyl sulfide 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 2-Nitrophenyl phenyl sulfide?
The CAS number of 2-Nitrophenyl phenyl sulfide is 4171-83-9.
What is the molecular formula of 2-Nitrophenyl phenyl sulfide?
The molecular formula of 2-Nitrophenyl phenyl sulfide is C12H9NO2S.
What is the molecular weight of 2-Nitrophenyl phenyl sulfide?
The molecular weight of 2-Nitrophenyl phenyl sulfide is 231.04 g/mol.
Where can I buy 2-Nitrophenyl phenyl sulfide?
You can request a quote for 2-Nitrophenyl phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.