1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
TL;DR: 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene (CAS 15398-73-9) is a chemical compound with molecular formula C13H8N2O4S2 and molecular weight 319.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
Also Known As: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene, 1-Isothiocyanato-4-(4-nitrobenzene-1-sulfonyl)benzene
| Molecular Formula | C13H8N2O4S2 |
|---|---|
| Molecular Weight | 319.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.99255 |
| Heavy Atoms | 21 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 15398-73-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BCUZQXGLAFSZEY-UHFFFAOYSA-N |
Product Overview
1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene (CAS 15398-73-9), with molecular formula C13H8N2O4S2 and molecular weight 319.99 g/mol. IUPAC: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene.
Chemical Property Profile of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
Property Insights of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
The XLogP value of 4.1 indicates that 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene has 0 hydrogen bond donor(s) and 6 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-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene?
The CAS number of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene is 15398-73-9.
What is the molecular formula of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene?
The molecular formula of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene is C13H8N2O4S2.
What is the molecular weight of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene?
The molecular weight of 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene is 319.99 g/mol.
Where can I buy 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene?
You can request a quote for 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.