1-Methyl-S-(3-methylthiophosphoryl)imidazolium
TL;DR: 1-Methyl-S-(3-methylthiophosphoryl)imidazolium (CAS 70951-04-1) is a chemical compound with molecular formula C5H9N2O2PS and molecular weight 192.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylimidazol-3-ium-1-yl)-methylsulfanylphosphinate
Also Known As: MSPI, MSMPID, 1-Methyl-S-(3-methylthiophosphoryl)imidazolium, Methyl-1-(S-methylphosphoryl-3) imidazolium, Methyl-1-(S-methylphosphoryl-3) imidazolium [French]
| Molecular Formula | C5H9N2O2PS |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.01224 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 70951-04-1 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)P(=O)([O-])SC |
| InChIKey | QSLFDILMORXPKP-UHFFFAOYSA-N |
Product Overview
1-Methyl-S-(3-methylthiophosphoryl)imidazolium (CAS 70951-04-1), with molecular formula C5H9N2O2PS and molecular weight 192.01 g/mol. IUPAC: (3-methylimidazol-3-ium-1-yl)-methylsulfanylphosphinate.
Chemical Property Profile of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium
Property Insights of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium
The XLogP value of -0.5 indicates that 1-Methyl-S-(3-methylthiophosphoryl)imidazolium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-S-(3-methylthiophosphoryl)imidazolium. Following Lipinski's Rule of Five, 1-Methyl-S-(3-methylthiophosphoryl)imidazolium has 0 hydrogen bond donor(s) and 3 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 1-Methyl-S-(3-methylthiophosphoryl)imidazolium?
The CAS number of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium is 70951-04-1.
What is the molecular formula of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium?
The molecular formula of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium is C5H9N2O2PS.
What is the molecular weight of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium?
The molecular weight of 1-Methyl-S-(3-methylthiophosphoryl)imidazolium is 192.01 g/mol.
Where can I buy 1-Methyl-S-(3-methylthiophosphoryl)imidazolium?
You can request a quote for 1-Methyl-S-(3-methylthiophosphoryl)imidazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-S-(3-methylthiophosphoryl)imidazolium?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-S-(3-methylthiophosphoryl)imidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.