2,8-Dinitrodibenzothiophene
TL;DR: 2,8-Dinitrodibenzothiophene (CAS 1090429-01-8) is a chemical compound with molecular formula C12H6N2O4S and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dinitrodibenzothiophene
Also Known As: 2,8-dinitrodibenzothiophene, Dibenzothiophene,2,8-dinitro-, 2,8-dinitrodibenzo[b,d]thiophene, 1-(2-Bromophenylsulfonyl)-2-methylpiperidine, 2,8-DINITRODIBENZOTHIOPHENE (100UG/ML IN TOLUENE)
| Molecular Formula | C12H6N2O4S |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 3.8709 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.00482 |
| Heavy Atoms | 19 |
| Complexity | 771.9782 |
Chemical Identifiers
| CAS Number | 1090429-01-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
2,8-Dinitrodibenzothiophene (CAS 1090429-01-8), with molecular formula C12H6N2O4S and molecular weight 274.00 g/mol. IUPAC: 2,8-dinitrodibenzothiophene.
Chemical Property Profile of 2,8-Dinitrodibenzothiophene
Property Insights of 2,8-Dinitrodibenzothiophene
The XLogP value of 3.8709 indicates that 2,8-Dinitrodibenzothiophene 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 2,8-Dinitrodibenzothiophene. Following Lipinski's Rule of Five, 2,8-Dinitrodibenzothiophene 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 2,8-Dinitrodibenzothiophene?
The CAS number of 2,8-Dinitrodibenzothiophene is 1090429-01-8.
What is the molecular formula of 2,8-Dinitrodibenzothiophene?
The molecular formula of 2,8-Dinitrodibenzothiophene is C12H6N2O4S.
What is the molecular weight of 2,8-Dinitrodibenzothiophene?
The molecular weight of 2,8-Dinitrodibenzothiophene is 274.00 g/mol.
Where can I buy 2,8-Dinitrodibenzothiophene?
You can request a quote for 2,8-Dinitrodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Dinitrodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Dinitrodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.