Dimethylprop-2-ynylsulphonium bromide
TL;DR: Dimethylprop-2-ynylsulphonium bromide (CAS 23451-62-9) is a chemical compound with molecular formula C5H9BrS and molecular weight 179.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl(prop-2-ynyl)sulfanium bromide
Also Known As: Dimethylprop-2-ynylsulphonium bromide, 3-MethylpicolinicAcid, Dimethyl(propargyl)sulfonium bromide, dimethyl(prop-2-ynyl)sulfanium;bromide, EINECS 245-666-5
| Molecular Formula | C5H9BrS |
|---|---|
| Molecular Weight | 179.96 g/mol |
| LogP | -2.4985 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.96083 |
| Heavy Atoms | 7 |
| Complexity | 62.97063 |
Chemical Identifiers
| CAS Number | 23451-62-9 |
|---|---|
| SMILES | C[S+](C)CC#C.[Br-] |
Product Overview
Dimethylprop-2-ynylsulphonium bromide (CAS 23451-62-9), with molecular formula C5H9BrS and molecular weight 179.96 g/mol. IUPAC: dimethyl(prop-2-ynyl)sulfanium bromide.
Chemical Property Profile of Dimethylprop-2-ynylsulphonium bromide
Property Insights of Dimethylprop-2-ynylsulphonium bromide
The XLogP value of -2.4985 indicates that Dimethylprop-2-ynylsulphonium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Dimethylprop-2-ynylsulphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylprop-2-ynylsulphonium bromide has 0 hydrogen bond donor(s) and 0 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 Dimethylprop-2-ynylsulphonium bromide?
The CAS number of Dimethylprop-2-ynylsulphonium bromide is 23451-62-9.
What is the molecular formula of Dimethylprop-2-ynylsulphonium bromide?
The molecular formula of Dimethylprop-2-ynylsulphonium bromide is C5H9BrS.
What is the molecular weight of Dimethylprop-2-ynylsulphonium bromide?
The molecular weight of Dimethylprop-2-ynylsulphonium bromide is 179.96 g/mol.
Where can I buy Dimethylprop-2-ynylsulphonium bromide?
You can request a quote for Dimethylprop-2-ynylsulphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylprop-2-ynylsulphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for Dimethylprop-2-ynylsulphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.