3-Allyl-1-[2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Thiourea
[CAS# 93856-92-9]

Identification

• Name: 3-Allyl-1-[2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Thiourea
• Synonyms: 3-Allyl-1-[2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Thiourea; 3-Allyl-1-[2-Hydroxy-1-Methylol-2-(4-Nitrophenyl)Ethyl]Thiourea; 1-[1,3-Dihydroxy-1-(4-Nitrophenyl)Propan-2-Yl]-3-Prop-2-Enyl-Thiourea
• Molecular Formula: C₁₃H₁₇N₃O₄S
• Molecular Weight: 311.36
• CAS Registry Number: 93856-92-9
• EINECS: 299-126-9
• SMILES: C1=C(C(O)C(NC(=S)NCC=C)CO)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C13H17N3O4S/c1-2-7-14-13(21)15-11(8-17)12(18)9-3-5-10(6-4-9)16(19)20/h2-6,11-12,17-18H,1,7-8H2,(H2,14,15,21)
• InChIKey: TWJSRGVAULVARB-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 516.635°C at 760 mmHg (Cal.)
• Flash point: 266.252°C (Cal.)