1-Butyl-2-[(Cyanocarbonothioyl)(Methyl)Amino]Benzene
[CAS# 4953-91-7]

Identification

• Name: 1-Butyl-2-[(Cyanocarbonothioyl)(Methyl)Amino]Benzene
• Synonyms: (2-butylphenyl)(methyl)carbamothioyl cyanide
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.34
• CAS Registry Number: 4953-91-7
• SMILES: CCCCc1ccccc1N(C)C(=S)C#N
• InChI: 1S/C13H16N2S/c1-3-4-7-11-8-5-6-9-12(11)15(2)13(16)10-14/h5-6,8-9H,3-4,7H2,1-2H3
• InChIKey: RUNUYTYUDZINJE-UHFFFAOYSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 328.335°C at 760 mmHg (Cal.)
• Flash point: 152.372°C (Cal.)