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2-(2-Aminothiazol-4-yl)glyoxylic acid

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Name

2-(2-Aminothiazol-4-yl)glyoxylic acid

EINECS 277-301-0
CAS No. 73150-67-1 Density 1.711 g/cm3
PSA 121.52000 LogP 0.57380
Solubility N/A Melting Point N/A
Formula C5H4N2O3S Boiling Point 395.7 ºC at 760 mmHg
Molecular Weight 172.164 Flash Point 193.1 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 73150-67-1 (2-(2-Aminothiazol-4-yl)glyoxylic acid) Hazard Symbols N/A
Synonyms

(2-Amino-4-thiazolyl)glyoxylicacid;2-(2-Aminothiazol-4-yl)glyoxylic acid;2-Amino-4-thiazoleglyoxylic acid;2-Amino-a-oxo-4-thiazoleacetic acid;

Article Data 3

2-(2-Aminothiazol-4-yl)glyoxylic acid Specification

The 2-(2-Aminothiazol-4-yl)glyoxylic acid, with the CAS registry number 73150-67-1, has the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetic acid. As to its usage, it is usually used as the intermediates of cephalosporins drugs, with the product categories including organic acids.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 121.52; (11)Index of Refraction: 1.693; (12)Molar Refractivity: 38.557 cm3; (13)Molar Volume: 100.573 cm3; (14)Polarizability: 15.285×10-24 cm3; (15)Surface Tension: 99.187 dyne/cm; (16)Density: 1.712 g/cm3; (17)Flash Point: 193.137 °C; (18)Enthalpy of Vaporization: 68.123 kJ/mol; (19)Boiling Point: 395.74 °C at 760 mmHg; (20)Exact Mass: 171.994263; (21)MonoIsotopic Mass: 171.994263; (22)Topological Polar Surface Area: 122; (23)Heavy Atom Count: 11; (24)Complexity: 196.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=C(N=C(S1)N)C(=O)C(=O)O
(2)InChI: InChI=1S/C5H4N2O3S/c6-5-7-2(1-11-5)3(8)4(9)10/h1H,(H2,6,7)(H,9,10)
(3)InChIKey: VMASTYPGLHRVNL-UHFFFAOYSA-N 

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