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24827-38-1

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Basic Information
CAS No.: 24827-38-1
Name: 4,5-BIS-(4-METHOXY-PHENYL)-THIAZOL-2-YLAMINE
Article Data: 6
Molecular Structure:
Molecular Structure of 24827-38-1 (4,5-BIS-(4-METHOXY-PHENYL)-THIAZOL-2-YLAMINE)
Formula: C17H16N2O2S
Molecular Weight: 312.392
Synonyms: 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-;
Density: 1.234 g/cm3
Boiling Point: 482.1 °C at 760mmHg
Flash Point: 245.3 °C
PSA: 85.61000
LogP: 4.65770
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Specification

The 4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-amine, with the CAS registry number 24827-38-1, is also known as 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-. This chemical's molecular formula is C17H16N2O2S and molecular weight is 312.3861. What's more, its IUPAC name and systematic name are the same which is called 4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-amine.

Physical properties about 4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-amine: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 67.23; (6)ACD/BCF (pH 7.4): 124.72; (7)ACD/KOC (pH 5.5): 591.72; (8)ACD/KOC (pH 7.4): 1097.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 89.5 cm3; (15)Molar Volume: 252.9 cm3; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 245.3 °C; (19)Enthalpy of Vaporization: 74.69 kJ/mol; (20)Boiling Point: 482.1 °C at 760 mmHg; (21)Vapour Pressure: 1.89E-09 mmHg at 25 °C.

Uses of 4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-amine: it is used to produce other chemicals. For example, it can react with Benzaldehyde to get Benzylidene-[4,5-bis-(4-methoxy-phenyl)-thiazol-2-yl]-amine. The reaction occurs with reagent Piperidin and solvent ethanol heating for 1 hour. The yield is 56%.

4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-amine can react with Benzaldehyde to get Benzylidene-[4,5-bis-(4-methoxy-phenyl)-thiazol-2-yl]-amine

You can still convert the following datas into molecular structure:
(1) SMILES: n2c(c1ccc(OC)cc1)c(sc2N)c3ccc(OC)cc3
(2) InChI: InChI=1/C17H16N2O2S/c1-20-13-7-3-11(4-8-13)15-16(22-17(18)19-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19)
(3) InChIKey: VUQJYRXMLSGBKQ-UHFFFAOYAX