2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
TL;DR: 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione (CAS 77129-81-8) is a chemical compound with molecular formula C12H14BrNOS and molecular weight 299.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1-morpholin-4-ylethanethione
Also Known As: 2-(4-Bromo-phenyl)-1-morpholin-4-yl-ethanethione, 4-Bromophenylthioacetomorpholide, 2-(4-bromophenyl)-1-morpholin-4-ylethanethione, 2-(4-Bromophenyl)-1-morpholinoethanethione, 4-(4-Bromophenylthioacetyl)morpholine
| Molecular Formula | C12H14BrNOS |
|---|---|
| Molecular Weight | 299.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.99796 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 77129-81-8 |
|---|---|
| SMILES | C1COCCN1C(=S)CC2=CC=C(C=C2)Br |
| InChIKey | ATAIOLZLNJVXLP-UHFFFAOYSA-N |
Product Overview
2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione (CAS 77129-81-8), with molecular formula C12H14BrNOS and molecular weight 299.00 g/mol. IUPAC: 2-(4-bromophenyl)-1-morpholin-4-ylethanethione.
Chemical Property Profile of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
Property Insights of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione. With a topological polar surface area (TPSA) of 44.6 Ų, 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione has 0 hydrogen bond donor(s) and 2 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-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione?
The CAS number of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione is 77129-81-8.
What is the molecular formula of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione?
The molecular formula of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione is C12H14BrNOS.
What is the molecular weight of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione?
The molecular weight of 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione is 299.00 g/mol.
Where can I buy 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione?
You can request a quote for 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.