3-Ethyldihydro-4-(1-methyl-1H-imidazol-5-yl)methyl-2(3H)-thiophenone dihydrogen phosphate
[CAS# 117639-11-9]

Identification

• Name: 3-Ethyldihydro-4-(1-methyl-1H-imidazol-5-yl)methyl-2(3H)-thiophenone dihydrogen phosphate
• Synonyms: (3S,4R)-3-Ethyl-4-[(3-Methylimidazol-4-Yl)Methyl]Tetrahydrothiophen-2-One; (3S,4R)-3-Ethyl-4-[(3-Methyl-4-Imidazolyl)Methyl]-2-Tetrahydrothiophenone; (3S-Cis)-3-Ethyldihydro-4-((1-Methyl-1H-Imidazol-5-Yl)Methyl)-2(3H)-Thiophenone
• Molecular Formula: C₁₁H₁₆N₂OS
• Molecular Weight: 224.32
• CAS Registry Number: 117639-11-9
• SMILES: [C@H]1([C@@H](C(SC1)=O)CC)CC2=CN=C[N]2C
• InChI: 1S/C11H16N2OS/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
• InChIKey: JEKWFJIPBJGBJT-WPRPVWTQSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 433.399°C at 760 mmHg (Cal.)
• Flash point: 215.912°C (Cal.)