1-Butan-2-ylsulfanyl-2,4-dinitrobenzene
TL;DR: 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene (CAS 90870-35-2) is a chemical compound with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-ylsulfanyl-2,4-dinitrobenzene
Also Known As: 1-butan-2-ylsulfanyl-2,4-dinitrobenzene, 1-[(Butan-2-yl)sulfanyl]-2,4-dinitrobenzene
| Molecular Formula | C10H12N2O4S |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0518 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 90870-35-2 |
|---|---|
| SMILES | CCC(C)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AUMWQCDIBGYWIC-UHFFFAOYSA-N |
Product Overview
1-Butan-2-ylsulfanyl-2,4-dinitrobenzene (CAS 90870-35-2), with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol. IUPAC: 1-butan-2-ylsulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene
Property Insights of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene
The XLogP value of 3.4 indicates that 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene 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 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene?
The CAS number of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene is 90870-35-2.
What is the molecular formula of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene?
The molecular formula of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene is C10H12N2O4S.
What is the molecular weight of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene?
The molecular weight of 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene is 256.05 g/mol.
Where can I buy 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene?
You can request a quote for 1-Butan-2-ylsulfanyl-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-Butan-2-ylsulfanyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butan-2-ylsulfanyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.