Ontianil
[CAS# 35727-72-1]

Identification

• Name: Ontianil
• Synonyms: N-(4-Chlorophenyl)-2,6-Dioxo-Cyclohexane-1-Carbothioamide; N-(4-Chlorophenyl)-2,6-Dioxo-1-Cyclohexanecarbothioamide; N-(4-Chlorophenyl)-2,6-Diketo-Cyclohexane-1-Carbothioamide
• Molecular Formula: C₁₃H₁₂ClNO₂S
• Molecular Weight: 281.76
• CAS Registry Number: 35727-72-1
• SMILES: C1=CC(=CC=C1NC(C2C(CCCC2=O)=O)=S)Cl
• InChI: 1S/C13H12ClNO2S/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h4-7,12H,1-3H2,(H,15,18)
• InChIKey: KBMXZBWIWSRALH-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 457.28°C at 760 mmHg (Cal.)
• Flash point: 230.355°C (Cal.)