CAS No.5036-02-2,tetramisole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5036-02-2
Name:	tetramisole
Article Data:	29

Formula:	C₁₁H₁₂N₂S
Molecular Weight:	204.296
Synonyms:	Imidazo[2,1-b]thiazole,2,3,5,6-tetrahydro-6-phenyl-, (?à)- (8CI);(?à)-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole;(?à)-Tetramisole;2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole;6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole;Ashitetra;Duxamintic;Nilverm base;Tetramisol;Tetramisole;dl-2,3,5,6-Tetrahydro-6-phenylimidazo(2,1-b)thiazole;dl-Tetramisol;dl-Tetramisole;(+)-2,3,5,6-Tetrahydro-6-phenylimidazo(2,1-b)thiazole;(±)-Tetramisole;6-Phenyl-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole;6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol;
EINECS:	225-729-3
Density:	1.32 g/cm³
Melting Point:	87-89°
Boiling Point:	344.4 °C at 760 mmHg
Flash Point:	162.1 °C
Solubility:
Appearance:	white to off-white crystalline powder
PSA:	40.90000
LogP:	2.32160

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Specification

The Imidazo[2,1-b]thiazole,2,3,5,6-tetrahydro-6-phenyl-, with the CAS registry number 5036-02-2 and EINECS registry number 225-729-3, has the systematic name and IUPAC name of 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole. And the molecular formula of the chemical is C₁₁H₁₂N₂S.

The characteristics of Imidazo[2,1-b]thiazole,2,3,5,6-tetrahydro-6-phenyl- are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.41; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.9 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 60.41 cm³; (15)Molar Volume: 154.1 cm³; (16)Polarizability: 23.94×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 58.83 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 6.61E-05 mmHg at 25°C.

Preparation of Imidazo[2,1-b]thiazole,2,3,5,6-tetrahydro-6-phenyl-: This chemical can be prepared by 2-(2-imino-thiazolidin-3-yl)-1-phenyl-ethanol. The reaction will need reagent acetic anhydride and thionyl chloride. The reaction time is 10 hours with temperature of 60°C, and the yield is about 70%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N\2=C1/SCCN1CC/2c3ccccc3
(2)InChI: InChI=1/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2
(3)InChIKey: HLFSDGLLUJUHTE-UHFFFAOYAO