2,8-Dibromodibenzothiophene
TL;DR: 2,8-Dibromodibenzothiophene (CAS 31574-87-5) is a chemical compound with molecular formula C12H6Br2S and molecular weight 339.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dibromodibenzothiophene
Also Known As: 2,8-Dibromodibenzothiophene, 2,8-Dibromodibenzo[b,d]thiophene, 2,8-dibromo-dibenzothiophene, Dibenzothiophene, 2,8-dibromo-, 2,4-Dinitro-1-naphthol
| Molecular Formula | C12H6Br2S |
|---|---|
| Molecular Weight | 339.86 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 339.8557 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 31574-87-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br |
| InChIKey | WNEXSUAHKVAPFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,8-Dibromodibenzothiophene (CAS 31574-87-5), with molecular formula C12H6Br2S and molecular weight 339.86 g/mol. IUPAC: 2,8-dibromodibenzothiophene.
Chemical Property Profile of 2,8-Dibromodibenzothiophene
Property Insights of 2,8-Dibromodibenzothiophene
The XLogP value of 5.7 indicates that 2,8-Dibromodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,8-Dibromodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8-Dibromodibenzothiophene 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 2,8-Dibromodibenzothiophene?
The CAS number of 2,8-Dibromodibenzothiophene is 31574-87-5.
What is the molecular formula of 2,8-Dibromodibenzothiophene?
The molecular formula of 2,8-Dibromodibenzothiophene is C12H6Br2S.
What is the molecular weight of 2,8-Dibromodibenzothiophene?
The molecular weight of 2,8-Dibromodibenzothiophene is 339.86 g/mol.
Where can I buy 2,8-Dibromodibenzothiophene?
You can request a quote for 2,8-Dibromodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Dibromodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Dibromodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.