4-(4-Methylbenzyl)thiomorpholine
TL;DR: 4-(4-Methylbenzyl)thiomorpholine (CAS 414892-61-8) is a chemical compound with molecular formula C12H17NS and molecular weight 207.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylphenyl)methyl]thiomorpholine
Also Known As: 4-(4-methylbenzyl)thiomorpholine, 4-[(4-methylphenyl)methyl]thiomorpholine, 4-(p-tolylmethyl)thiomorpholine, Cambridge id 5269651
| Molecular Formula | C12H17NS |
|---|---|
| Molecular Weight | 207.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.10817 |
| Heavy Atoms | 14 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 414892-61-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCSCC2 |
| InChIKey | JPOACEZEVCRRPB-UHFFFAOYSA-N |
Product Overview
4-(4-Methylbenzyl)thiomorpholine (CAS 414892-61-8), with molecular formula C12H17NS and molecular weight 207.11 g/mol. IUPAC: 4-[(4-methylphenyl)methyl]thiomorpholine.
Chemical Property Profile of 4-(4-Methylbenzyl)thiomorpholine
Property Insights of 4-(4-Methylbenzyl)thiomorpholine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylbenzyl)thiomorpholine. With a topological polar surface area (TPSA) of 28.5 Ų, 4-(4-Methylbenzyl)thiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylbenzyl)thiomorpholine 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-(4-Methylbenzyl)thiomorpholine?
The CAS number of 4-(4-Methylbenzyl)thiomorpholine is 414892-61-8.
What is the molecular formula of 4-(4-Methylbenzyl)thiomorpholine?
The molecular formula of 4-(4-Methylbenzyl)thiomorpholine is C12H17NS.
What is the molecular weight of 4-(4-Methylbenzyl)thiomorpholine?
The molecular weight of 4-(4-Methylbenzyl)thiomorpholine is 207.11 g/mol.
Where can I buy 4-(4-Methylbenzyl)thiomorpholine?
You can request a quote for 4-(4-Methylbenzyl)thiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylbenzyl)thiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylbenzyl)thiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.