4-(4-Isothiocyanatophenyl)morpholine
TL;DR: 4-(4-Isothiocyanatophenyl)morpholine (CAS 5458-56-0) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-isothiocyanatophenyl)morpholine
Also Known As: 4-Morpholinophenyl isothiocyanate, 4-(4-Isothiocyanatophenyl)morpholine, 4-Morpholinophenylisothiocyanate, 4-(4-isothiocyanatophenyl)morpholin, 4-morpholinylphenyl isothiocyanate
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 5458-56-0 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)N=C=S |
| InChIKey | AXUXRZZYZBZQAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Isothiocyanatophenyl)morpholine (CAS 5458-56-0), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 4-(4-isothiocyanatophenyl)morpholine.
Chemical Property Profile of 4-(4-Isothiocyanatophenyl)morpholine
Property Insights of 4-(4-Isothiocyanatophenyl)morpholine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Isothiocyanatophenyl)morpholine. With a topological polar surface area (TPSA) of 56.9 Ų, 4-(4-Isothiocyanatophenyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Isothiocyanatophenyl)morpholine has 0 hydrogen bond donor(s) and 4 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-Isothiocyanatophenyl)morpholine?
The CAS number of 4-(4-Isothiocyanatophenyl)morpholine is 5458-56-0.
What is the molecular formula of 4-(4-Isothiocyanatophenyl)morpholine?
The molecular formula of 4-(4-Isothiocyanatophenyl)morpholine is C11H12N2OS.
What is the molecular weight of 4-(4-Isothiocyanatophenyl)morpholine?
The molecular weight of 4-(4-Isothiocyanatophenyl)morpholine is 220.07 g/mol.
Where can I buy 4-(4-Isothiocyanatophenyl)morpholine?
You can request a quote for 4-(4-Isothiocyanatophenyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Isothiocyanatophenyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Isothiocyanatophenyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.