Methylsulfenyl bromide
TL;DR: Methylsulfenyl bromide (CAS 18681-52-2) is a chemical compound with molecular formula CH3BrS and molecular weight 125.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl thiohypobromite
Also Known As: Methylsulfenyl bromide, Methylbromosulfur, methyl thiohypobromite, MeSBr, Methylthio bromide
| Molecular Formula | CH3BrS |
|---|---|
| Molecular Weight | 125.91 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.91388 |
| Heavy Atoms | 3 |
| Complexity | 4.0 |
Chemical Identifiers
| CAS Number | 18681-52-2 |
|---|---|
| SMILES | CSBr |
| InChIKey | VTACQRMNQIKUJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylsulfenyl bromide (CAS 18681-52-2), with molecular formula CH3BrS and molecular weight 125.91 g/mol. IUPAC: methyl thiohypobromite.
Chemical Property Profile of Methylsulfenyl bromide
Property Insights of Methylsulfenyl bromide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsulfenyl bromide. With a topological polar surface area (TPSA) of 25.3 Ų, Methylsulfenyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylsulfenyl bromide 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 Methylsulfenyl bromide?
The CAS number of Methylsulfenyl bromide is 18681-52-2.
What is the molecular formula of Methylsulfenyl bromide?
The molecular formula of Methylsulfenyl bromide is CH3BrS.
What is the molecular weight of Methylsulfenyl bromide?
The molecular weight of Methylsulfenyl bromide is 125.91 g/mol.
Where can I buy Methylsulfenyl bromide?
You can request a quote for Methylsulfenyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfenyl bromide?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfenyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.