1-PIPERIDINETHIOCARBOXAMIDE

The CAS register number of 1-Piperidinecarbothioamide is 14294-09-8. It also can be called as 1-(Aminothiocarbonyl)piperidine and the IUPAC name about this chemical is piperidine-1-carbothioamide. The molecular formula about this chemical is C₆H₁₂N₂S and the molecular weight is 144.24.

Physical properties about 1-Piperidinecarbothioamide are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.11; (5)ACD/BCF (pH 7.4): 2.11; (6)ACD/KOC (pH 5.5): 59.44; (7)ACD/KOC (pH 7.4): 59.45; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 38.57 Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 41.99 cm³; (13)Molar Volume: 123.8 cm³; (14)Polarizability: 16.64x10^-24cm³; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.165 g/cm³; (17)Flash Point: 97.3 °C; (18)Enthalpy of Vaporization: 47.41 kJ/mol; (19)Boiling Point: 237.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0451 mmHg at 25 °C.

Preparation: this chemical can be prepared by piperidine and imidazole-1-carbodithioic acid methyl ester. This reaction is a kind of substitution. This reaction needs two steps and heating. This reaction will need reagent of NH₃ and solvent of ethanol. The reaction time is 4.5 hours. The yield is about 76%.

Uses of 1-Piperidinecarbothioamide: it can be used to produce 1-(4-phenyl-thiazol-2-yl)-piperidine with 2-bromo-1-phenyl-ethanone. This reaction will need solvent of dimethylformamide. The reaction time is 5 hours with reaction temperature of 70 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. If you want to use it, wear suitable protective clothing and gloves and do not breathe dust. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in room temperature, dry and well ventilated places.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N)N1CCCCC1
(2)InChI: InChI=1/C6H12N2S/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)
(3)InChIKey: UERQMZVFUXRQOD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H12N2S/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)
(5)Std. InChIKey: UERQMZVFUXRQOD-UHFFFAOYSA-N