CAS No.128438-01-7,(Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128438-01-7
Name:	(Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid
Article Data:	3

Formula:	C₂₄H₁₉N₃O₃S
Molecular Weight:	429.499
Synonyms:	4-Thiazoleaceticacid, 2-amino-a-[(triphenylmethoxy)imino]-,(Z)-;(Z)-2-(2-Aminothiazol-4-yl)-2-(trityloxy)iminoacetic acid;2-(2-Amino-4-thiazolyl)-2-[(Z)-(trityloxy)imino]acetic acid;
Density:	1.295 g/cm³
Melting Point:	179-182 °C
Boiling Point:	651.477 °C at 760 mmHg
Flash Point:	347.801 °C
PSA:	126.04000
LogP:	5.10390

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Specification

The (Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid, with the CAS registry number 128438-01-7, has the systematic name of (2Z)-(2-amino-1,3-thiazol-4-yl)[(trityloxy)imino]ethanoic acid.

The characteristics of this chemical are as below: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 126.04 ; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 122.42 cm³; (15)Molar Volume: 331.728 cm³; (16)Polarizability: 48.531× 10^-24 cm³; (17)Surface Tension: 54.999 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 347.801 °C; (20)Enthalpy of Vaporization: 100.881 kJ/mol; (21)Boiling Point: 651.477 °C at 760 mmHg.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)C(=N\OC(c1ccccc1)(c2ccccc2)c3ccccc3)/c4nc(sc4)N
(2)InChI:InChI=1/C24H19N3O3S/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,25,26)(H,28,29)/b27-21-
(3)InChIKey:XEZIFGWTSLOMMT-MEFGMAGPBU