4-Methyl-2-(3-Methylbutylsulfanylmethyl)-3-Oxido-Quinazoline
[CAS# 6327-38-4]

Identification

• Name: 4-Methyl-2-(3-Methylbutylsulfanylmethyl)-3-Oxido-Quinazoline
• Synonyms: 2-(Isopentylsulfanylmethyl)-4-Methyl-3-Oxido-Quinazolin-3-Ium; 2-[(Isopentylthio)Methyl]-4-Methyl-3-Oxidoquinazolin-3-Ium; 2-[(Isoamylthio)Methyl]-4-Methyl-3-Oxido-Quinazolin-3-Ium
• Molecular Formula: C₁₅H₂₀N₂OS
• Molecular Weight: 276.40
• CAS Registry Number: 6327-38-4
• SMILES: C1=CC=CC2=C1C(=[N+](C(=N2)CSCCC(C)C)[O-])C
• InChI: 1S/C15H20N2OS/c1-11(2)8-9-19-10-15-16-14-7-5-4-6-13(14)12(3)17(15)18/h4-7,11H,8-10H2,1-3H3
• InChIKey: HOFGXXTVLSOQFC-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 447.519°C at 760 mmHg (Cal.)
• Flash point: 224.452°C (Cal.)