2-(Thiomorpholine-4-carbonyl)aniline
TL;DR: 2-(Thiomorpholine-4-carbonyl)aniline (CAS 664303-98-4) is a chemical compound with molecular formula C11H14N2OS and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-aminophenyl)-thiomorpholin-4-ylmethanone
Also Known As: 2-(thiomorpholine-4-carbonyl)aniline, [2-(thiomorpholin-4-ylcarbonyl)phenyl]amine, (2-Aminophenyl)(thiomorpholino)methanone, (2-aminophenyl)-thiomorpholin-4-ylmethanone, 2-(thiomorpholin-4-ylcarbonyl)aniline
| Molecular Formula | C11H14N2OS |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 1.4578 |
| Topological Polar Surface Area | 46.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.08269 |
| Heavy Atoms | 15 |
| Complexity | 361.36047 |
Chemical Identifiers
| CAS Number | 664303-98-4 |
|---|---|
| SMILES | C1CSCCN1C(=O)C2=CC=CC=C2N |
Product Overview
2-(Thiomorpholine-4-carbonyl)aniline (CAS 664303-98-4), with molecular formula C11H14N2OS and molecular weight 222.08 g/mol. IUPAC: (2-aminophenyl)-thiomorpholin-4-ylmethanone.
Chemical Property Profile of 2-(Thiomorpholine-4-carbonyl)aniline
Property Insights of 2-(Thiomorpholine-4-carbonyl)aniline
The XLogP value of 1.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Thiomorpholine-4-carbonyl)aniline. With a topological polar surface area (TPSA) of 46.33 Ų, 2-(Thiomorpholine-4-carbonyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Thiomorpholine-4-carbonyl)aniline has 1 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 2-(Thiomorpholine-4-carbonyl)aniline?
The CAS number of 2-(Thiomorpholine-4-carbonyl)aniline is 664303-98-4.
What is the molecular formula of 2-(Thiomorpholine-4-carbonyl)aniline?
The molecular formula of 2-(Thiomorpholine-4-carbonyl)aniline is C11H14N2OS.
What is the molecular weight of 2-(Thiomorpholine-4-carbonyl)aniline?
The molecular weight of 2-(Thiomorpholine-4-carbonyl)aniline is 222.08 g/mol.
Where can I buy 2-(Thiomorpholine-4-carbonyl)aniline?
You can request a quote for 2-(Thiomorpholine-4-carbonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Thiomorpholine-4-carbonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Thiomorpholine-4-carbonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.