Dibenzothiophene, 3-nitro-, 5-oxide
TL;DR: Dibenzothiophene, 3-nitro-, 5-oxide (CAS 68925-98-4) is a chemical compound with molecular formula C12H7NO3S and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrodibenzothiophene 5-oxide
Also Known As: 3-Nitrodibenzothiophene-5-oxide, 3-nitrodibenzothiophene 5-oxide, Dibenzothiophene, 5-oxide, NCIStruc1_000705, NCIStruc2_000938
| Molecular Formula | C12H7NO3S |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 2.7419 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.01466 |
| Heavy Atoms | 17 |
| Complexity | 666.55035 |
Chemical Identifiers
| CAS Number | 68925-98-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-] |
Product Overview
Dibenzothiophene, 3-nitro-, 5-oxide (CAS 68925-98-4), with molecular formula C12H7NO3S and molecular weight 245.01 g/mol. IUPAC: 3-nitrodibenzothiophene 5-oxide.
Chemical Property Profile of Dibenzothiophene, 3-nitro-, 5-oxide
Property Insights of Dibenzothiophene, 3-nitro-, 5-oxide
The XLogP value of 2.7419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzothiophene, 3-nitro-, 5-oxide. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzothiophene, 3-nitro-, 5-oxide. Following Lipinski's Rule of Five, Dibenzothiophene, 3-nitro-, 5-oxide has 0 hydrogen bond donor(s) and 3 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 Dibenzothiophene, 3-nitro-, 5-oxide?
The CAS number of Dibenzothiophene, 3-nitro-, 5-oxide is 68925-98-4.
What is the molecular formula of Dibenzothiophene, 3-nitro-, 5-oxide?
The molecular formula of Dibenzothiophene, 3-nitro-, 5-oxide is C12H7NO3S.
What is the molecular weight of Dibenzothiophene, 3-nitro-, 5-oxide?
The molecular weight of Dibenzothiophene, 3-nitro-, 5-oxide is 245.01 g/mol.
Where can I buy Dibenzothiophene, 3-nitro-, 5-oxide?
You can request a quote for Dibenzothiophene, 3-nitro-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzothiophene, 3-nitro-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzothiophene, 3-nitro-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.