1-[(4-Methylphenyl)Amino]-3-[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Sulfanylpropan-2-Ol
[CAS# 133506-56-6]

Identification

• Name: 1-[(4-Methylphenyl)Amino]-3-[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Sulfanylpropan-2-Ol
• Synonyms: 1-[(4-Methylphenyl)Amino]-3-[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Sulfanyl-Propan-2-Ol; 1-[(4-Methylphenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]-5-Tetrazolyl]Thio]Propan-2-Ol; 1-[(4-Methylphenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Thio]Propan-2-Ol
• Molecular Formula: C₁₈H₁₈F₃N₅OS
• Molecular Weight: 409.43
• CAS Registry Number: 133506-56-6
• SMILES: C1=C(C=CC=C1[N]2N=NN=C2SCC(CNC3=CC=C(C=C3)C)O)C(F)(F)F
• InChI: 1S/C18H18F3N5OS/c1-12-5-7-14(8-6-12)22-10-16(27)11-28-17-23-24-25-26(17)15-4-2-3-13(9-15)18(19,20)21/h2-9,16,22,27H,10-11H2,1H3
• InChIKey: MHCJWJJQLUGENF-UHFFFAOYSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 595.326°C at 760 mmHg (Cal.)
• Flash point: 313.842°C (Cal.)