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Basic Information
CAS No.: 569348-15-8
Name: (1-Cbz-3-piperidine)carbothioamide
Molecular Structure:
Molecular Structure of 569348-15-8 ((1-Cbz-3-piperidine)carbothioamide)
Formula: C14H18N2O2S
Molecular Weight: 278.375
Synonyms: Benzyl 3-carbamothioylpiperidine-1-carboxylate;
Density: 1.253 g/cm3
Boiling Point: 441.9 °C at 760 mmHg
Flash Point: 221.1 °C
PSA: 87.65000
LogP: 2.95950
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Specification

The (1-Cbz-3-piperidine)carbothioamide has CAS registry number 569348-15-8. The molecular formula of this chemical is C14H18N2O2S and its molecular weight is 278.374. What's more, its systematic name is Benzyl 3-carbamothioylpiperidine-1-carboxylate.

Physical properties about (1-Cbz-3-piperidine)carbothioamide are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 87.65 Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 77.43 cm3; (11)Molar Volume: 222.1 cm3; (12)Polarizability: 30.69×10-24 cm3; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.253 g/cm3; (15)Flash Point: 221.1 °C; (16)Enthalpy of Vaporization: 69.93 kJ/mol; (17)Boiling Point: 441.9 °C at 760 mmHg; (18)Vapour Pressure: 5.24E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COC(=O)N2CCCC(C2)C(=S)N
(2) InChI: InChI=1/C14H18N2O2S/c15-13(19)12-7-4-8-16(9-12)14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,19)
(3) InChIKey: AOYXSKQMDOWLIA-UHFFFAOYAK