2-Bromobenzyl methyl sulfide
TL;DR: 2-Bromobenzyl methyl sulfide (CAS 19614-11-0) 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.
1-bromo-2-(methylsulfanylmethyl)benzene
Also Known As: 1-bromo-2-[(methylsulfanyl)methyl]benzene, 2-Bromobenzyl methyl sulfide, (2-Bromobenzyl)(methyl)sulfane, 1-bromo-2-(methylsulfanylmethyl)benzene, o-bromobenzyl methyl sulfide
| Molecular Formula | C8H9BrS |
|---|---|
| Molecular Weight | 215.96 g/mol |
| LogP | 3.3121 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.96083 |
| Heavy Atoms | 10 |
| Complexity | 210.1675 |
Chemical Identifiers
| CAS Number | 19614-11-0 |
|---|---|
| SMILES | CSCC1=CC=CC=C1Br |
Product Overview
2-Bromobenzyl methyl sulfide (CAS 19614-11-0), with molecular formula C8H9BrS and molecular weight 215.96 g/mol. IUPAC: 1-bromo-2-(methylsulfanylmethyl)benzene.
Chemical Property Profile of 2-Bromobenzyl methyl sulfide
Property Insights of 2-Bromobenzyl methyl sulfide
The XLogP value of 3.3121 indicates that 2-Bromobenzyl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromobenzyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzyl methyl sulfide 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-Bromobenzyl methyl sulfide?
The CAS number of 2-Bromobenzyl methyl sulfide is 19614-11-0.
What is the molecular formula of 2-Bromobenzyl methyl sulfide?
The molecular formula of 2-Bromobenzyl methyl sulfide is C8H9BrS.
What is the molecular weight of 2-Bromobenzyl methyl sulfide?
The molecular weight of 2-Bromobenzyl methyl sulfide is 215.96 g/mol.
Where can I buy 2-Bromobenzyl methyl sulfide?
You can request a quote for 2-Bromobenzyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobenzyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobenzyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.