1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene
TL;DR: 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene (CAS 90814-91-8) is a chemical compound with molecular formula C10H12N2O4S2 and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butyldisulfanyl)-2,4-dinitrobenzene
Also Known As: tert-butyl 2,4-dinitrophenyl disulfide, 1-(tert-butyldisulfanyl)-2,4-dinitrobenzene
| Molecular Formula | C10H12N2O4S2 |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.02383 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 90814-91-8 |
|---|---|
| SMILES | CC(C)(C)SSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NIODFAXPOVQHFI-UHFFFAOYSA-N |
Product Overview
1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene (CAS 90814-91-8), with molecular formula C10H12N2O4S2 and molecular weight 288.02 g/mol. IUPAC: 1-(tert-butyldisulfanyl)-2,4-dinitrobenzene.
Chemical Property Profile of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene
Property Insights of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene
The XLogP value of 3.1 indicates that 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene 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-(Tert-butyldisulfanyl)-2,4-dinitrobenzene?
The CAS number of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene is 90814-91-8.
What is the molecular formula of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene?
The molecular formula of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene is C10H12N2O4S2.
What is the molecular weight of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene?
The molecular weight of 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene is 288.02 g/mol.
Where can I buy 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene?
You can request a quote for 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butyldisulfanyl)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.