Phenylthioacetic acid, morpholide
TL;DR: Phenylthioacetic acid, morpholide (CAS 425608-06-6) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-phenylsulfanylethanone
Also Known As: Phenylthioacetic acid, morpholide, 1-morpholino-2-(phenylthio)ethanone, 1-morpholin-4-yl-2-phenylsulfanylethanone, ethanone, 1-(4-morpholinyl)-2-(phenylthio)-, 1-(morpholin-4-yl)-2-(phenylsulfanyl)ethan-1-one
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 425608-06-6 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=CC=CC=C2 |
| InChIKey | NAMFKTBQSCMITK-UHFFFAOYSA-N |
Product Overview
Phenylthioacetic acid, morpholide (CAS 425608-06-6), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: 1-morpholin-4-yl-2-phenylsulfanylethanone.
Chemical Property Profile of Phenylthioacetic acid, morpholide
Property Insights of Phenylthioacetic acid, morpholide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthioacetic acid, morpholide. With a topological polar surface area (TPSA) of 54.8 Ų, Phenylthioacetic acid, morpholide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylthioacetic acid, morpholide 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 Phenylthioacetic acid, morpholide?
The CAS number of Phenylthioacetic acid, morpholide is 425608-06-6.
What is the molecular formula of Phenylthioacetic acid, morpholide?
The molecular formula of Phenylthioacetic acid, morpholide is C12H15NO2S.
What is the molecular weight of Phenylthioacetic acid, morpholide?
The molecular weight of Phenylthioacetic acid, morpholide is 237.08 g/mol.
Where can I buy Phenylthioacetic acid, morpholide?
You can request a quote for Phenylthioacetic acid, morpholide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthioacetic acid, morpholide?
Yes, KEHONG BIO provides custom synthesis services for Phenylthioacetic acid, morpholide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.