2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid
TL;DR: 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid (CAS 488129-64-2) is a chemical compound with molecular formula C9H15NO3S2 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(morpholine-4-carbothioylsulfanyl)propanoic acid
Also Known As: J2.344.313I, 2-methyl-2-(morpholine-4-carbothioylsulfanyl)propanoic acid, 2-[Morpholino(thiocarbonyl)thio]-2-methylpropionic acid, 2-methyl-2-((morpholine-4-carbonothioyl)thio)propanoic acid, 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid
| Molecular Formula | C9H15NO3S2 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.1999 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.04933 |
| Heavy Atoms | 15 |
| Complexity | 262.08307 |
Chemical Identifiers
| CAS Number | 488129-64-2 |
|---|---|
| SMILES | CC(C)(C(=O)O)SC(=S)N1CCOCC1 |
Product Overview
2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid (CAS 488129-64-2), with molecular formula C9H15NO3S2 and molecular weight 249.05 g/mol. IUPAC: 2-methyl-2-(morpholine-4-carbothioylsulfanyl)propanoic acid.
Chemical Property Profile of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid
Property Insights of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid
The XLogP value of 1.1999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid. With a topological polar surface area (TPSA) of 49.77 Ų, 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid has 1 hydrogen bond donor(s) and 4 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-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid?
The CAS number of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid is 488129-64-2.
What is the molecular formula of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid?
The molecular formula of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid is C9H15NO3S2.
What is the molecular weight of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid?
The molecular weight of 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid is 249.05 g/mol.
Where can I buy 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid?
You can request a quote for 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(morpholine-4-carbothioylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.