Specification: |
The tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate with its cas register number is 214834-18-1. It also can be called as 1-tert-Butoxycarbonylpiperidine-4-carbothioamide and the IUPAC Name about this chemical is tert-butyl 4-carbamothioylpiperidine-1-carboxylate. It belongs to the following product categories, such as Pyrans, Piperidines &Piperazines and Pyrans, Piperidines & Piperazines.
Physical properties about tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.629; (3)ACD/LogD (pH 7.4): 1.629; (4)ACD/BCF (pH 5.5): 10.18; (5)ACD/BCF (pH 7.4): 10.181; (6)ACD/KOC (pH 5.5): 183.215; (7)ACD/KOC (pH 7.4): 183.234; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 87.65Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 66.807 cm3; (14)Molar Volume: 210.987 cm3; (15)Polarizability: 26.484x10-24cm3; (16)Surface Tension: 50.887 dyne/cm; (17)Enthalpy of Vaporization: 60.12 kJ/mol
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, also it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, and also not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
(2)InChI: InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
(3)InChIKey: SCGQNJHAAYUQOO-UHFFFAOYSA-N
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