Ethyl cis-2-Isothiocyanato-1-Cyclohexanecarboxylate
[CAS# 336185-30-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Ethyl ester compound
• Name: Ethyl cis-2-Isothiocyanato-1-Cyclohexanecarboxylate
• Synonyms: (1R,2S)-2-Isothiocyanato-1-Cyclohexanecarboxylic Acid Ethyl Ester; (1R,2S)-2-Isothiocyanatocyclohexane-1-Carboxylic Acid Ethyl Ester; Sbb016959
• Molecular Formula: C₁₀H₁₅NO₂S
• Molecular Weight: 213.29
• CAS Registry Number: 336185-30-9
• SMILES: [C@H]1(C(=O)OCC)[C@@H](N=C=S)CCCC1
• InChI: 1S/C10H15NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h8-9H,2-6H2,1H3/t8-,9+/m1/s1
• InChIKey: AIKOBLQGXOVNNL-BDAKNGLRSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 310.132°C at 760 mmHg (Cal.)
• Flash point: 141.363°C (Cal.)