2,7-Dinitrothianthrene
TL;DR: 2,7-Dinitrothianthrene (CAS 89844-71-3) is a chemical compound with molecular formula C12H6N2O4S2 and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dinitrothianthrene
Also Known As: 2,7-dinitrothianthrene, Thianthrene, 2,7-dinitro-, Thianthrene,2,7-dinitro, J1.228.404G, AO-800/41069680
| Molecular Formula | C12H6N2O4S2 |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 4.1188 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.9769 |
| Heavy Atoms | 20 |
| Complexity | 684.73236 |
Chemical Identifiers
| CAS Number | 89844-71-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2,7-Dinitrothianthrene (CAS 89844-71-3), with molecular formula C12H6N2O4S2 and molecular weight 305.98 g/mol. IUPAC: 2,7-dinitrothianthrene.
Chemical Property Profile of 2,7-Dinitrothianthrene
Property Insights of 2,7-Dinitrothianthrene
The XLogP value of 4.1188 indicates that 2,7-Dinitrothianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dinitrothianthrene. Following Lipinski's Rule of Five, 2,7-Dinitrothianthrene 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 2,7-Dinitrothianthrene?
The CAS number of 2,7-Dinitrothianthrene is 89844-71-3.
What is the molecular formula of 2,7-Dinitrothianthrene?
The molecular formula of 2,7-Dinitrothianthrene is C12H6N2O4S2.
What is the molecular weight of 2,7-Dinitrothianthrene?
The molecular weight of 2,7-Dinitrothianthrene is 305.98 g/mol.
Where can I buy 2,7-Dinitrothianthrene?
You can request a quote for 2,7-Dinitrothianthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dinitrothianthrene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dinitrothianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.