![3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide structure](/static/products/5892/58920-49-3.webp)
3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide
TL;DR: 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide (CAS 58920-49-3) is a chemical compound with molecular formula C12H6N2O6S and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dinitrodibenzothiophene 5,5-dioxide
Also Known As: 3,7-dinitrodibenzo[b,d]thiophene 5,5-dioxide, ChemDiv1_019237, 3,7-dinitrodibenzothiophene 5,5-dioxide, 3,7-dinitrodibenzothiophene sulfone, 3,7-dinitrodibenzothiophene S,S-dioxide
| Molecular Formula | C12H6N2O6S |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | 2.3162 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.99466 |
| Heavy Atoms | 21 |
| Complexity | 849.84 |
Chemical Identifiers
| CAS Number | 58920-49-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-] |
Product Overview
3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide (CAS 58920-49-3), with molecular formula C12H6N2O6S and molecular weight 305.99 g/mol. IUPAC: 3,7-dinitrodibenzothiophene 5,5-dioxide.
Chemical Property Profile of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide
Property Insights of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide
The XLogP value of 2.3162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide. Following Lipinski's Rule of Five, 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide 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 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide?
The CAS number of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide is 58920-49-3.
What is the molecular formula of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide?
The molecular formula of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide is C12H6N2O6S.
What is the molecular weight of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide?
The molecular weight of 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide is 305.99 g/mol.
Where can I buy 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide?
You can request a quote for 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dinitrodibenzo[b,d]thiophene 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.