4-(4-Isothiocyanatophenyl)morpholine structure

4-(4-Isothiocyanatophenyl)morpholine

4-(4-isothiocyanatophenyl)morpholine

Also Known As: 4-Morpholinophenyl isothiocyanate|4-(4-Isothiocyanatophenyl)morpholine|4-Morpholinophenylisothiocyanate|4-(4-isothiocyanatophenyl)morpholin|4-morpholinylphenyl isothiocyanate|3-Chlorobiphenyl-3-carboxylicacid|4-(4-isothiocyanato-phenyl)-morpholine|4-morpholin-4-ylbenzenisothiocyanate|Morpholine, 4-(4-isothiocyanatophenyl)-|4-(4-morpholinyl)phenyl isothiocyanate|Morpholine,4-(4-isothiocyanatophenyl)-|4-(Morpholin-4-yl)phenyl isothiocyanate|4-morpholinophenyl isothiocyanate, AldrichCPR|K-9445|317M669|I14-13609

CAS: 5458-56-0
Molecular Formula C11H12N2OS
Molecular Weight 220.06703 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
Monoisotopic 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.

Heterocyclic Building Blocks (30 patents) Pharmaceutical Intermediates (23 patents)

Product Overview

4-(4-Isothiocyanatophenyl)morpholine (CAS 5458-56-0), with molecular formula C11H12N2OS and molecular weight 220.06703 g/mol. IUPAC: 4-(4-isothiocyanatophenyl)morpholine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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