5-Ethyl-5-(3-pentanyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
[CAS# 87171-21-9]

Identification

• Name: 5-Ethyl-5-(3-pentanyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
• Synonyms: 4-24-00-01962 (Beilstein Handbook Reference); 5-Ethyl-5(1-ethylpropyl) 2-thiobarbituric acid; 5-ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid
• Molecular Formula: C₁₁H₁₈N₂O₂S
• Molecular Weight: 242.34
• CAS Registry Number: 87171-21-9
• SMILES: O=C1NC(=S)NC(=O)C1(C(CC)CC)CC
• InChI: 1S/C11H18N2O2S/c1-4-7(5-2)11(6-3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
• InChIKey: VMBXKUPZOMUHQT-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)