(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate
(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
Also Known As: (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate|(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate|4-methyl-2-(thiocyanatomethyl)-4H-quinazoline 3-oxide|(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl thiocyanate|(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl thiocyanate|Thiocyanic acid, (4-methyl-3-oxido-2-quinazolinyl)methyl ester
CAS: 6327-41-9
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.04663 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04663 |
| Monoisotopic Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6327-41-9 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC#N)[O-] |
| InChIKey | HODITGRKQBVCSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (1 patents)
Product Overview
(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate (CAS 6327-41-9), with molecular formula C11H9N3OS and molecular weight 231.04663 g/mol. IUPAC: (4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate.
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.
View MSDS →
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