2-Nitrodibenzothiophene
TL;DR: 2-Nitrodibenzothiophene (CAS 6639-36-7) 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.
2-nitrodibenzothiophene
Also Known As: 2-Nitrodibenzothiophene, 2-Nitrodibenzo[b,d]thiophene, Dibenzothiophene, 2-nitro-, 2-nitro-dibenzothiophen, 2-nitro-dibenzothiophene
| 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 | 6639-36-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | GXLYVLHWXVRVKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrodibenzothiophene (CAS 6639-36-7), with molecular formula C12H7NO2S and molecular weight 229.02 g/mol. IUPAC: 2-nitrodibenzothiophene.
Chemical Property Profile of 2-Nitrodibenzothiophene
Property Insights of 2-Nitrodibenzothiophene
The XLogP value of 4.2 indicates that 2-Nitrodibenzothiophene 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 2-Nitrodibenzothiophene. Following Lipinski's Rule of Five, 2-Nitrodibenzothiophene 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 2-Nitrodibenzothiophene?
The CAS number of 2-Nitrodibenzothiophene is 6639-36-7.
What is the molecular formula of 2-Nitrodibenzothiophene?
The molecular formula of 2-Nitrodibenzothiophene is C12H7NO2S.
What is the molecular weight of 2-Nitrodibenzothiophene?
The molecular weight of 2-Nitrodibenzothiophene is 229.02 g/mol.
Where can I buy 2-Nitrodibenzothiophene?
You can request a quote for 2-Nitrodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.