2-Bromodibenzothiophene
TL;DR: 2-Bromodibenzothiophene (CAS 97511-04-1) is a chemical compound with molecular formula C12H7BrS and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromodibenzothiophene
Also Known As: 2-Bromodibenzothiophene, 2-Bromodibenzo[b,d]thiophene, 2-bromo-dibenzothiophene, Not Available, Dibenzothiophene, 2-bromo-
| Molecular Formula | C12H7BrS |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.9452 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 97511-04-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br |
| InChIKey | IJICRIUYZZESMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromodibenzothiophene (CAS 97511-04-1), with molecular formula C12H7BrS and molecular weight 261.95 g/mol. IUPAC: 2-bromodibenzothiophene.
Chemical Property Profile of 2-Bromodibenzothiophene
Property Insights of 2-Bromodibenzothiophene
The XLogP value of 5.1 indicates that 2-Bromodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Bromodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromodibenzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromodibenzothiophene?
The CAS number of 2-Bromodibenzothiophene is 97511-04-1.
What is the molecular formula of 2-Bromodibenzothiophene?
The molecular formula of 2-Bromodibenzothiophene is C12H7BrS.
What is the molecular weight of 2-Bromodibenzothiophene?
The molecular weight of 2-Bromodibenzothiophene is 261.95 g/mol.
Where can I buy 2-Bromodibenzothiophene?
You can request a quote for 2-Bromodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.