![5-Bromo-1-methylbenzo[e][1]benzothiole structure](/static/products/2275/22754-64-9.webp)
5-Bromo-1-methylbenzo[e][1]benzothiole
TL;DR: 5-Bromo-1-methylbenzo[e][1]benzothiole (CAS 22754-64-9) is a chemical compound with molecular formula C13H9BrS and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-methylbenzo[e][1]benzothiole
Also Known As: 5-bromo-1-methylbenzo[e][1]benzothiole, 5-Bromo-1-methylnaphtho[2,1-b]thiophene
| Molecular Formula | C13H9BrS |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.96082 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 22754-64-9 |
|---|---|
| SMILES | CC1=CSC2=C1C3=CC=CC=C3C(=C2)Br |
| InChIKey | WEBIUZXRCVAARI-UHFFFAOYSA-N |
Product Overview
5-Bromo-1-methylbenzo[e][1]benzothiole (CAS 22754-64-9), with molecular formula C13H9BrS and molecular weight 275.96 g/mol. IUPAC: 5-bromo-1-methylbenzo[e][1]benzothiole.
Chemical Property Profile of 5-Bromo-1-methylbenzo[e][1]benzothiole
Property Insights of 5-Bromo-1-methylbenzo[e][1]benzothiole
The XLogP value of 5.2 indicates that 5-Bromo-1-methylbenzo[e][1]benzothiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 5-Bromo-1-methylbenzo[e][1]benzothiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1-methylbenzo[e][1]benzothiole 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 5-Bromo-1-methylbenzo[e][1]benzothiole?
The CAS number of 5-Bromo-1-methylbenzo[e][1]benzothiole is 22754-64-9.
What is the molecular formula of 5-Bromo-1-methylbenzo[e][1]benzothiole?
The molecular formula of 5-Bromo-1-methylbenzo[e][1]benzothiole is C13H9BrS.
What is the molecular weight of 5-Bromo-1-methylbenzo[e][1]benzothiole?
The molecular weight of 5-Bromo-1-methylbenzo[e][1]benzothiole is 275.96 g/mol.
Where can I buy 5-Bromo-1-methylbenzo[e][1]benzothiole?
You can request a quote for 5-Bromo-1-methylbenzo[e][1]benzothiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-methylbenzo[e][1]benzothiole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-methylbenzo[e][1]benzothiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.