2-Bromothioanisole
TL;DR: 2-Bromothioanisole (CAS 19614-16-5) is a chemical compound with molecular formula C7H7BrS and molecular weight 201.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-methylsulfanylbenzene
Also Known As: 2-Bromothioanisole, o-Bromothioanisole, 2-bromo thioanisole, (2-bromophenyl)(methyl)sulfane, bromothioanisole
| Molecular Formula | C7H7BrS |
|---|---|
| Molecular Weight | 201.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.94518 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 19614-16-5 |
|---|---|
| SMILES | CSC1=CC=CC=C1Br |
| InChIKey | ALAQDUSTXPEHMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromothioanisole (CAS 19614-16-5), with molecular formula C7H7BrS and molecular weight 201.95 g/mol. IUPAC: 1-bromo-2-methylsulfanylbenzene.
Chemical Property Profile of 2-Bromothioanisole
Property Insights of 2-Bromothioanisole
The XLogP value of 3.1 indicates that 2-Bromothioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Bromothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromothioanisole has 0 hydrogen bond donor(s) and 1 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-Bromothioanisole?
The CAS number of 2-Bromothioanisole is 19614-16-5.
What is the molecular formula of 2-Bromothioanisole?
The molecular formula of 2-Bromothioanisole is C7H7BrS.
What is the molecular weight of 2-Bromothioanisole?
The molecular weight of 2-Bromothioanisole is 201.95 g/mol.
Where can I buy 2-Bromothioanisole?
You can request a quote for 2-Bromothioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromothioanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.