1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamine
[CAS# 804427-92-7]

Identification

• Name: 1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamine
• Synonyms: (4-(isopentylthio)-3-methylphenyl)methanamine
• Molecular Formula: C₁₃H₂₁NS
• Molecular Weight: 223.38
• CAS Registry Number: 804427-92-7
• SMILES: Cc1cc(ccc1SCCC(C)C)CN
• InChI: 1S/C13H21NS/c1-10(2)6-7-15-13-5-4-12(9-14)8-11(13)3/h4-5,8,10H,6-7,9,14H2,1-3H3
• InChIKey: FBYDXDRRZQDHFH-UHFFFAOYSA-N

Properties

• Density: 1.003g/cm³ (Cal.)
• Boiling point: 326.935°C at 760 mmHg (Cal.)
• Flash point: 151.525°C (Cal.)
• Refractive index: 1.549 (Cal.)