((2-Bromoethyl)thio)benzene
TL;DR: ((2-Bromoethyl)thio)benzene (CAS 4837-01-8) is a chemical compound with molecular formula C8H9BrS and molecular weight 215.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethylsulfanylbenzene
Also Known As: 2-Bromoethyl phenyl sulfide, (2-Bromoethyl)(phenyl)sulfane, 2-bromoethylsulfanylbenzene, ((2-Bromoethyl)thio)benzene, 2-Bromoethylthiobenzene
| Molecular Formula | C8H9BrS |
|---|---|
| Molecular Weight | 215.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.96083 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 4837-01-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCBr |
| InChIKey | UEFBOQYLXLEJSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((2-Bromoethyl)thio)benzene (CAS 4837-01-8), with molecular formula C8H9BrS and molecular weight 215.96 g/mol. IUPAC: 2-bromoethylsulfanylbenzene.
Chemical Property Profile of ((2-Bromoethyl)thio)benzene
Property Insights of ((2-Bromoethyl)thio)benzene
The XLogP value of 3.6 indicates that ((2-Bromoethyl)thio)benzene 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-Bromoethyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((2-Bromoethyl)thio)benzene 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-Bromoethyl)thio)benzene?
The CAS number of ((2-Bromoethyl)thio)benzene is 4837-01-8.
What is the molecular formula of ((2-Bromoethyl)thio)benzene?
The molecular formula of ((2-Bromoethyl)thio)benzene is C8H9BrS.
What is the molecular weight of ((2-Bromoethyl)thio)benzene?
The molecular weight of ((2-Bromoethyl)thio)benzene is 215.96 g/mol.
Where can I buy ((2-Bromoethyl)thio)benzene?
You can request a quote for ((2-Bromoethyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-Bromoethyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((2-Bromoethyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.