CAS No.131986-45-3,5-(4-HEXYLOXY-[1,2,5]THIADIAZOL-3-YL)-1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131986-45-3
Name:	5-(4-HEXYLOXY-[1,2,5]THIADIAZOL-3-YL)-1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE
Article Data:	7

Formula:	C₁₄H₂₃N₃OS
Molecular Weight:	281.422
Synonyms:	5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine;
Density:	1.101 g/cm³
Boiling Point:	397 °C at 760 mmHg
Flash Point:	193.9 °C
PSA:	66.49000
LogP:	3.15400

Total:34 Page 1 of 1 1

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Specification

The Pyridine,3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-, with the CAS registry number of 131986-45-3, is also known as 5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine. Its molecular formula is C₁₄H₂₃N₃OS and molecular weight is 281.42. What's more, its IUPAC name is 3-Hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole. This chemical's classification codes are Alzheimer's disease treatment [cholinergic agonist], Autonomic Agents, Central Nervous System Agents, Cholinergic Agents, Cholinergic Agonists, Cholinergic agonist [treatment of Alzheimers disease]. It is a cholinergic agonist and used in the treatment of Alzheimer's disease.

Physical properties about the Pyridine,3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl- are: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 17.88; (6)ACD/BCF (pH 7.4): 595.61; (7)ACD/KOC (pH 5.5): 86.22; (8)ACD/KOC (pH 7.4): 2871.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.49 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 79.78 cm³; (15)Molar Volume: 255.4 cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.101 g/cm³; (18)Flash Point: 193.9 °C; (19)Enthalpy of Vaporization: 64.74 kJ/mol; (20)Boiling Point: 397 °C at 760 mmHg; (21)Vapour Pressure: 1.64E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2snc(/C1=C/CCN(C)C1)c2OCCCCCC
(2) InChI: InChI=1/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
(3) InChIKey: JOLJIIDDOBNFHW-UHFFFAOYAC