Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate
TL;DR: Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate (CAS 292644-14-5) is a chemical compound with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(benzylsulfanyl)methylidene]-4-nitrobenzenesulfonamide
Also Known As: DIBENZYL (4-NITROPHENYL)SULFONYLDITHIOIMIDOCARBONATE, N-[bis(benzylsulfanyl)methylidene]-4-nitrobenzenesulfonamide, dibenzyl [(4-nitrophenyl)sulfonyl]carbonodithioimidate, dibenzyl [(4-nitrophenyl)sulfonyl]dithioimidocarbonate, A2234/0094039
| Molecular Formula | C21H18N2O4S3 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 5.5063 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.04288 |
| Heavy Atoms | 30 |
| Complexity | 1072.4326 |
Chemical Identifiers
| CAS Number | 292644-14-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3 |
Product Overview
Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate (CAS 292644-14-5), with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol. IUPAC: N-[bis(benzylsulfanyl)methylidene]-4-nitrobenzenesulfonamide.
Chemical Property Profile of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate
Property Insights of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate
The XLogP value of 5.5063 indicates that Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate. Following Lipinski's Rule of Five, Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate?
The CAS number of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate is 292644-14-5.
What is the molecular formula of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate?
The molecular formula of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate is C21H18N2O4S3.
What is the molecular weight of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate?
The molecular weight of Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate is 458.04 g/mol.
Where can I buy Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate?
You can request a quote for Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl (4-nitrophenyl)sulfonyldithioimidocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.