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

Name
2-(2-Aminothiazol-4-yl)glyoxylic acid
EINECS 277-301-0
CAS No. 73150-67-1
Article Data3
CAS DataBase
Density 1.711 g/cm³
Solubility
Melting Point
Formula C₅H₄N₂O₃S
Boiling Point 395.7 ºC at 760 mmHg
Molecular Weight 172.164
Flash Point 193.1 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 121.52000
LogP 0.57380

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

Product Name

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

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

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