1-(Isopropylthio)-4-nitrobenzene
TL;DR: 1-(Isopropylthio)-4-nitrobenzene (CAS 7205-63-2) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-propan-2-ylsulfanylbenzene
Also Known As: 1-nitro-4-(propan-2-ylsulfanyl)benzene, 1-(Isopropylthio)-4-nitrobenzene, isopropyl 4-nitrophenyl sulfide, isopropyl(4-nitrophenyl)sulfane, 1-nitro-4-propan-2-ylsulfanylbenzene
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 7205-63-2 |
|---|---|
| SMILES | CC(C)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | AZXGKMBWQRKTQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Isopropylthio)-4-nitrobenzene (CAS 7205-63-2), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 1-nitro-4-propan-2-ylsulfanylbenzene.
Chemical Property Profile of 1-(Isopropylthio)-4-nitrobenzene
Property Insights of 1-(Isopropylthio)-4-nitrobenzene
The XLogP value of 3.1 indicates that 1-(Isopropylthio)-4-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-(Isopropylthio)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Isopropylthio)-4-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-(Isopropylthio)-4-nitrobenzene?
The CAS number of 1-(Isopropylthio)-4-nitrobenzene is 7205-63-2.
What is the molecular formula of 1-(Isopropylthio)-4-nitrobenzene?
The molecular formula of 1-(Isopropylthio)-4-nitrobenzene is C9H11NO2S.
What is the molecular weight of 1-(Isopropylthio)-4-nitrobenzene?
The molecular weight of 1-(Isopropylthio)-4-nitrobenzene is 197.05 g/mol.
Where can I buy 1-(Isopropylthio)-4-nitrobenzene?
You can request a quote for 1-(Isopropylthio)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isopropylthio)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isopropylthio)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.