1-Nitro-3-(phenylsulfanyl)benzene
TL;DR: 1-Nitro-3-(phenylsulfanyl)benzene (CAS 37984-02-4) 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-3-phenylsulfanylbenzene
Also Known As: 1-nitro-3-(phenylsulfanyl)benzene, (3-Nitrophenyl)(phenyl)sulfane, Sulfide, m-nitrophenyl phenyl, 1-nitro-3-phenylsulfanylbenzene, 3-NITROPHENYLPHENYLSULFIDE
| 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 | 37984-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | LHVHVBIVNJWKDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-3-(phenylsulfanyl)benzene (CAS 37984-02-4), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 1-nitro-3-phenylsulfanylbenzene.
Chemical Property Profile of 1-Nitro-3-(phenylsulfanyl)benzene
Property Insights of 1-Nitro-3-(phenylsulfanyl)benzene
The XLogP value of 3.8 indicates that 1-Nitro-3-(phenylsulfanyl)benzene 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-Nitro-3-(phenylsulfanyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-3-(phenylsulfanyl)benzene 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-Nitro-3-(phenylsulfanyl)benzene?
The CAS number of 1-Nitro-3-(phenylsulfanyl)benzene is 37984-02-4.
What is the molecular formula of 1-Nitro-3-(phenylsulfanyl)benzene?
The molecular formula of 1-Nitro-3-(phenylsulfanyl)benzene is C12H9NO2S.
What is the molecular weight of 1-Nitro-3-(phenylsulfanyl)benzene?
The molecular weight of 1-Nitro-3-(phenylsulfanyl)benzene is 231.04 g/mol.
Where can I buy 1-Nitro-3-(phenylsulfanyl)benzene?
You can request a quote for 1-Nitro-3-(phenylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-(phenylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-(phenylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.