Benzene, 1-nitro-4-(propylthio)-
TL;DR: Benzene, 1-nitro-4-(propylthio)- (CAS 27826-42-2) 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-propylsulfanylbenzene
Also Known As: Benzene, 1-nitro-4-(propylthio)-, 1-nitro-4-propylsulfanylbenzene, Propyl(4-nitrophenyl) sulfide, (4-Nitrophenyl)(propyl)sulfane, 1-NITRO-4-(PROPYLSULFANYL)BENZENE
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 27826-42-2 |
|---|---|
| SMILES | CCCSC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ZKRRTBXZRJXUJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-nitro-4-(propylthio)- (CAS 27826-42-2), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 1-nitro-4-propylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-nitro-4-(propylthio)-
Property Insights of Benzene, 1-nitro-4-(propylthio)-
The XLogP value of 3.2 indicates that Benzene, 1-nitro-4-(propylthio)- 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 Benzene, 1-nitro-4-(propylthio)-. Following Lipinski's Rule of Five, Benzene, 1-nitro-4-(propylthio)- 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 Benzene, 1-nitro-4-(propylthio)-?
The CAS number of Benzene, 1-nitro-4-(propylthio)- is 27826-42-2.
What is the molecular formula of Benzene, 1-nitro-4-(propylthio)-?
The molecular formula of Benzene, 1-nitro-4-(propylthio)- is C9H11NO2S.
What is the molecular weight of Benzene, 1-nitro-4-(propylthio)-?
The molecular weight of Benzene, 1-nitro-4-(propylthio)- is 197.05 g/mol.
Where can I buy Benzene, 1-nitro-4-(propylthio)-?
You can request a quote for Benzene, 1-nitro-4-(propylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-4-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-4-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.