4,7-Dimethyl-5-thioxo-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(1H)-one
[CAS# 959006-96-3]

Identification

• Name: 4,7-Dimethyl-5-thioxo-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(1H)-one
• Synonyms: 4,7-Dimethyl-5-thioxo-4,5,6,7-tetrahydroimidazo[4,5-E][1,4]diazepin-8(1H)-one #; 4,7-dimethyl-5-thioxo-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-one; Imidazo[4,5-e][1,4]diazepin-8(1H)-one, 4,5,6,7-tetrahydro-4,7-dimethyl-5-thioxo-
• Molecular Formula: C₈H₁₀N₄OS
• Molecular Weight: 210.26
• CAS Registry Number: 959006-96-3
• SMILES: S=C1N(c2ncnc2C(=O)N(C1)C)C
• InChI: 1S/C8H10N4OS/c1-11-3-5(14)12(2)7-6(8(11)13)9-4-10-7/h4H,3H2,1-2H3,(H,9,10)
• InChIKey: CXOUZRFTQJSKBU-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 490.277°C at 760 mmHg (Cal.)
• Flash point: 250.311°C (Cal.)
• Refractive index: 1.701 (Cal.)