Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-
TL;DR: Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- (CAS 61497-41-4) is a chemical compound with molecular formula C13H11NO4S2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-nitro-1-phenylsulfanylbenzene
Also Known As: 5-BENZOYL-1-METHYLPYRAZOLE, Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-, 4-methylsulfonyl-2-nitro-1-phenylsulfanylbenzene, 4-(Methanesulfonyl)-2-nitro-1-(phenylsulfanyl)benzene
| Molecular Formula | C13H11NO4S2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 3.1495 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.01294 |
| Heavy Atoms | 20 |
| Complexity | 742.2214 |
Chemical Identifiers
| CAS Number | 61497-41-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- (CAS 61497-41-4), with molecular formula C13H11NO4S2 and molecular weight 309.01 g/mol. IUPAC: 4-methylsulfonyl-2-nitro-1-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-
Property Insights of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-
The XLogP value of 3.1495 indicates that Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-. Following Lipinski's Rule of Five, Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- has 0 hydrogen bond donor(s) and 5 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, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-?
The CAS number of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- is 61497-41-4.
What is the molecular formula of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-?
The molecular formula of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- is C13H11NO4S2.
What is the molecular weight of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-?
The molecular weight of Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- is 309.01 g/mol.
Where can I buy Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-?
You can request a quote for Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.