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66338-96-3

Basic Information
CAS No.: 66338-96-3
Name: 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 66338-96-3 (2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid)
Formula: C5H5N3O3S
Molecular Weight: 187.17
Synonyms: 4-Thiazoleaceticacid, 2-amino-a-(hydroxyimino)-,(Z)-;(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acid;(Z)-2-Amino-a-(hydroxyimino)-4-thiazoleaceticacid;
Density: 1.92 g/cm3
Melting Point: 190-192 °C
Boiling Point: 539.4 °C at 760 mmHg
Flash Point: 280 °C
Appearance: yellow crystalline
PSA: 137.04000
LogP: 0.56940
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  • 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid cas  66338-96-3

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  • 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid

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    66338-96-3

    2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid

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Specification

The 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid, with the CAS registry number 66338-96-3, has the systematic name of (2Z)-(2-amino-1,3-thiazol-4-yl)(hydroxyimino)ethanoic acid. For being a kind of yellow crystalline, it is widely applied as the pharmaceutics intermediate, such as the Latamoxef and this chemical belongs to the product categories which are cephalosporins.

The characteristics of this chemical are as follows: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.85; (4)ACD/LogD (pH 7.4): -4.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.26 ; (13)Index of Refraction: 1.798; (14)Molar Refractivity: 41.42 cm3; (15)Molar Volume: 97 cm3; (16)Polarizability: 16.42 ×10-24 cm3; (17)Surface Tension: 98.5 dyne/cm; (18)Density: 1.92 g/cm3; (19)Flash Point: 280 °C; (20)Enthalpy of Vaporization: 85.97 kJ/mol; (21)Boiling Point: 539.4 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-12 mmHg at 25°C.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)C(=N\O)/c1nc(sc1)N
(2)InChI:InChI=1/C5H5N3O3S/c6-5-7-2(1-12-5)3(8-11)4(9)10/h1,11H,(H2,6,7)(H,9,10)/b8-3-
(3)InChIKey:URGSBEYHHRKMJL-BAQGIRSFBQ