![Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- structure](/static/products/1078/107825-28-5.webp)
Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-
TL;DR: Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- (CAS 107825-28-5) is a chemical compound with molecular formula C13H17NOS2 and molecular weight 267.07516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylsulfanylphenyl)-1-morpholin-4-ylethanethione
Also Known As: Etoricoxib Impurity 86, Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-, 4-[(4-Methylthiophenyl)thioacetyl]morpholine, 2-(4-methylsulfanylphenyl)-1-morpholin-4-ylethanethione, J2.017.226F
Technical Specifications
| Molecular Formula | C13H17NOS2 |
| Molecular Weight | 267.07516 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07516 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| SMILES | CSC1=CC=C(C=C1)CC(=S)N2CCOCC2 |
| InChIKey | QTBUBEBGUVJXIN-UHFFFAOYSA-N |
Chemical Property Profile of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-
Property Insights of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-. Following Lipinski's Rule of Five, Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- 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
What is the CAS number of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-?
The CAS number of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- is 107825-28-5.
What is the molecular formula of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-?
The molecular formula of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- is C13H17NOS2.
What is the molecular weight of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-?
The molecular weight of Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- is 267.07516 g/mol.
Where can I buy Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-?
You can request a quote for Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]-?
Yes, CoreyChem provides custom synthesis services for Morpholine, 4-[2-[4-(methylthio)phenyl]-1-thioxoethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.