S-Methyl methyl(3-oxobutyl)phosphinothioate
TL;DR: S-Methyl methyl(3-oxobutyl)phosphinothioate (CAS 64010-95-3) is a chemical compound with molecular formula C6H13O2PS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methyl(methylsulfanyl)phosphoryl]butan-2-one
Also Known As: S-Methyl methyl(3-oxobutyl)phosphinothioate, 4-[methyl(methylsulfanyl)phosphoryl]butan-2-one
| Molecular Formula | C6H13O2PS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.03738 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 64010-95-3 |
|---|---|
| SMILES | CC(=O)CCP(=O)(C)SC |
| InChIKey | AOPLMHKLGKWNCD-UHFFFAOYSA-N |
Product Overview
S-Methyl methyl(3-oxobutyl)phosphinothioate (CAS 64010-95-3), with molecular formula C6H13O2PS and molecular weight 180.04 g/mol. IUPAC: 4-[methyl(methylsulfanyl)phosphoryl]butan-2-one.
Chemical Property Profile of S-Methyl methyl(3-oxobutyl)phosphinothioate
Property Insights of S-Methyl methyl(3-oxobutyl)phosphinothioate
The XLogP value of -0.5 indicates that S-Methyl methyl(3-oxobutyl)phosphinothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.4 Ų, S-Methyl methyl(3-oxobutyl)phosphinothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl methyl(3-oxobutyl)phosphinothioate 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 S-Methyl methyl(3-oxobutyl)phosphinothioate?
The CAS number of S-Methyl methyl(3-oxobutyl)phosphinothioate is 64010-95-3.
What is the molecular formula of S-Methyl methyl(3-oxobutyl)phosphinothioate?
The molecular formula of S-Methyl methyl(3-oxobutyl)phosphinothioate is C6H13O2PS.
What is the molecular weight of S-Methyl methyl(3-oxobutyl)phosphinothioate?
The molecular weight of S-Methyl methyl(3-oxobutyl)phosphinothioate is 180.04 g/mol.
Where can I buy S-Methyl methyl(3-oxobutyl)phosphinothioate?
You can request a quote for S-Methyl methyl(3-oxobutyl)phosphinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl methyl(3-oxobutyl)phosphinothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl methyl(3-oxobutyl)phosphinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.