N-Methyl-N-Phenyl-Propanethioamide
[CAS# 5310-08-7]

Identification

• Name: N-Methyl-N-Phenyl-Propanethioamide
• Synonyms: Dimethyl 2-[1-(3-Fluorobenzoyl)-6-Methoxy-2,2-Dimethyl-3-Thioxo-4-Quinolylidene]-1,3-Dithiole-4,5-Dicarboxylate; 2-[1-[(3-Fluorophenyl)-Oxomethyl]-6-Methoxy-2,2-Dimethyl-3-Thioxo-4-Quinolylidene]-1,3-Dithiole-4,5-Dicarboxylic Acid Dimethyl Ester; 2-[1-(3-Fluorobenzoyl)-6-Methoxy-2,2-Dimethyl-3-Thioxo-4-Quinolylidene]-1,3-Dithiole-4,5-Dicarboxylic Acid Dimethyl Ester
• Molecular Formula: C₂₆H₂₂FNO₆S₃
• Molecular Weight: 559.64
• CAS Registry Number: 5310-08-7
• SMILES: C2=C1C(C(=S)C(N(C1=CC=C2OC)C(=O)C3=CC=CC(=C3)F)(C)C)=C4SC(=C(S4)C(OC)=O)C(OC)=O
• InChI: 1S/C26H22FNO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-12-15(32-3)9-10-17(16)28(26)22(29)13-7-6-8-14(27)11-13/h6-12H,1-5H3
• InChIKey: IDXZNJGYGYWWIF-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 666.273°C at 760 mmHg (Cal.)
• Flash point: 356.749°C (Cal.)