1,3-Dimethyl-4-Thioxo-1,3,4,5-Tetrahydro-2H-1,3-Benzodiazepin-2-One
[CAS# 116465-71-5]

Identification

• Name: 1,3-Dimethyl-4-Thioxo-1,3,4,5-Tetrahydro-2H-1,3-Benzodiazepin-2-One
• Synonyms: 1,3-dimethyl-4-thioxo-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-one
• Molecular Formula: C₁₁H₁₂N₂OS
• Molecular Weight: 220.29
• CAS Registry Number: 116465-71-5
• SMILES: CN1c2ccccc2CC(=S)N(C1=O)C
• InChI: 1S/C11H12N2OS/c1-12-9-6-4-3-5-8(9)7-10(15)13(2)11(12)14/h3-6H,7H2,1-2H3
• InChIKey: MRLQJSQLDIEXQA-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 327.517°C at 760 mmHg (Cal.)
• Flash point: 151.877°C (Cal.)
• Refractive index: 1.669 (Cal.)