4-(3-Bromobenzenecarbothioyl)morpholine
TL;DR: 4-(3-Bromobenzenecarbothioyl)morpholine (CAS 330860-11-2) is a chemical compound with molecular formula C11H12BrNOS and molecular weight 284.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-morpholin-4-ylmethanethione
Also Known As: 4-(3-bromobenzenecarbothioyl)morpholine, (3-bromophenyl)(morpholino)methanethione, 4-(3-bromobenzothioyl)morpholine, (3-bromophenyl)-morpholin-4-ylmethanethione, (m-bromophenyl)morpholinomethanethione
| Molecular Formula | C11H12BrNOS |
|---|---|
| Molecular Weight | 284.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.9823 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 330860-11-2 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC(=CC=C2)Br |
| InChIKey | YFQAPJRGPXOSOX-UHFFFAOYSA-N |
Product Overview
4-(3-Bromobenzenecarbothioyl)morpholine (CAS 330860-11-2), with molecular formula C11H12BrNOS and molecular weight 284.98 g/mol. IUPAC: (3-bromophenyl)-morpholin-4-ylmethanethione.
Chemical Property Profile of 4-(3-Bromobenzenecarbothioyl)morpholine
Property Insights of 4-(3-Bromobenzenecarbothioyl)morpholine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Bromobenzenecarbothioyl)morpholine. With a topological polar surface area (TPSA) of 44.6 Ų, 4-(3-Bromobenzenecarbothioyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Bromobenzenecarbothioyl)morpholine 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 4-(3-Bromobenzenecarbothioyl)morpholine?
The CAS number of 4-(3-Bromobenzenecarbothioyl)morpholine is 330860-11-2.
What is the molecular formula of 4-(3-Bromobenzenecarbothioyl)morpholine?
The molecular formula of 4-(3-Bromobenzenecarbothioyl)morpholine is C11H12BrNOS.
What is the molecular weight of 4-(3-Bromobenzenecarbothioyl)morpholine?
The molecular weight of 4-(3-Bromobenzenecarbothioyl)morpholine is 284.98 g/mol.
Where can I buy 4-(3-Bromobenzenecarbothioyl)morpholine?
You can request a quote for 4-(3-Bromobenzenecarbothioyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Bromobenzenecarbothioyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromobenzenecarbothioyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.