Dibenzothiophene, 3-nitro-
TL;DR: Dibenzothiophene, 3-nitro- (CAS 94764-55-3) is a chemical compound with molecular formula C12H7NO2S and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrodibenzothiophene
Also Known As: 3-Nitrodibenzothiophene, Dibenzothiophene, 3-nitro-, 3-nitrodibenzo[b,d]thiophene, Dibenzothiophene,3-nitro, 2-Nitro-9-thiafluorene, 4-Nitro-[1,1'-biphenyl]-2,2-diyl sulphide
| Molecular Formula | C12H7NO2S |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.01974 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 94764-55-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZPEZGWPZHITXSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzothiophene, 3-nitro- (CAS 94764-55-3), with molecular formula C12H7NO2S and molecular weight 229.02 g/mol. IUPAC: 3-nitrodibenzothiophene.
Chemical Property Profile of Dibenzothiophene, 3-nitro-
Property Insights of Dibenzothiophene, 3-nitro-
The XLogP value of 4.2 indicates that Dibenzothiophene, 3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzothiophene, 3-nitro-. Following Lipinski's Rule of Five, Dibenzothiophene, 3-nitro- 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-?
The CAS number of Dibenzothiophene, 3-nitro- is 94764-55-3.
What is the molecular formula of Dibenzothiophene, 3-nitro-?
The molecular formula of Dibenzothiophene, 3-nitro- is C12H7NO2S.
What is the molecular weight of Dibenzothiophene, 3-nitro-?
The molecular weight of Dibenzothiophene, 3-nitro- is 229.02 g/mol.
Where can I buy Dibenzothiophene, 3-nitro-?
You can request a quote for Dibenzothiophene, 3-nitro- 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-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzothiophene, 3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.