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98330-05-3

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Basic Information
CAS No.: 98330-05-3
Name: ANPIRTOLINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 98330-05-3 (ANPIRTOLINE HYDROCHLORIDE)
Formula: C10H13ClN2S
Molecular Weight: 228.7416
Synonyms: Anpirtoline;
Density: 1.27 g/cm3
Boiling Point: 364.1 °C at 760 mmHg
Flash Point: 174 °C
PSA: 50.22000
LogP: 2.90790
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Specification

The Pyridine,2-chloro-6-(4-piperidinylthio)- is an organic compound with the formula C10H13ClN2S. The IUPAC name of this chemical is 2-chloro-6-piperidin-4-ylsulfanylpyridine. With the CAS registry number 98330-05-3, it is also named as 4-((6-Chloro-2-pyridyl)thio)piperidine.

Physical properties about Pyridine,2-chloro-6-(4-piperidinylthio)- are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.55; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 41.43 Å2; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 62.13 cm3; (14)Molar Volume: 179.8 cm3; (15)Polarizability: 24.63×10-24cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 174 °C; (19)Enthalpy of Vaporization: 61.03 kJ/mol; (20)Boiling Point: 364.1 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(SC1CCNCC1)ccc2
(2)InChI: InChI=1/C10H13ClN2S/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
(3)InChIKey: GGALEXMXDMUMDM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H13ClN2S/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
(5)Std. InChIKey: GGALEXMXDMUMDM-UHFFFAOYSA-N