3-Amino-2-(Phenylamino)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
[CAS# 168280-54-4]

Identification

• Name: 3-Amino-2-(Phenylamino)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidin-4-One
• Synonyms: 3-Amino-2-(Phenylamino)-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidin-4-One; Oprea1_199488; Stock1s-26890
• Molecular Formula: C₁₆H₁₆N₄OS
• Molecular Weight: 312.39
• CAS Registry Number: 168280-54-4
• SMILES: C1=CC=CC=C1NC2=NC4=C(C(N2N)=O)C3=C(CCCC3)S4
• InChI: 1S/C16H16N4OS/c17-20-15(21)13-11-8-4-5-9-12(11)22-14(13)19-16(20)18-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,17H2,(H,18,19)
• InChIKey: WNRRMNQOXSDVCN-UHFFFAOYSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 555.977°C at 760 mmHg (Cal.)
• Flash point: 290.045°C (Cal.)