1-(1-Cyclohexa-2,4-Dienylmethyl)-7-Thia-3,5-Diazabicyclo[4.1.0]Hepta-3,5-Dien-2-One
[CAS# 33086-27-0]

Identification

• Name: 1-(1-Cyclohexa-2,4-Dienylmethyl)-7-Thia-3,5-Diazabicyclo[4.1.0]Hepta-3,5-Dien-2-One
• Synonyms: Pyrimidinone, Dihydro(Phenylmethyl)Thioxo- (9Ci); Uracil, Benzylthio-
• Molecular Formula: C₁₁H₁₀N₂OS
• Molecular Weight: 218.27
• CAS Registry Number: 33086-27-0
• EINECS: 251-372-8
• SMILES: C(C12C(=NC=NC1=O)S2)C3CC=CC=C3
• InChI: 1S/C11H10N2OS/c14-9-11(10(15-11)13-7-12-9)6-8-4-2-1-3-5-8/h1-4,7-8H,5-6H2
• InChIKey: HVSIKZCKLATJAR-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 348.142°C at 760 mmHg (Cal.)
• Flash point: 164.35°C (Cal.)