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2-Aminothiazole-4-carboxylic acid

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Name

2-Aminothiazole-4-carboxylic acid

EINECS 801-787-0
CAS No. 40283-41-8 Density 1.658 g/cm3
PSA 104.45000 LogP 1.00470
Solubility N/A Melting Point 171-181 °C(lit.)
Formula C4H4N2O2S Boiling Point 414.962 °C at 760 mmHg
Molecular Weight 144.154 Flash Point 204.762 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36
Molecular Structure Molecular Structure of 40283-41-8 (2-Aminothiazole-4-carboxylic acid) Hazard Symbols IrritantXi
Synonyms

2-amino-1,3-thiazole-4-carboxylic acid;

Article Data 8

2-Aminothiazole-4-carboxylic acid Specification

The 2-Aminothiazole-4-carboxylic acid, with the cas registry number 40283-41-8, has the IUPAC name of 2-amino-1,3-thiazole-4-carboxylic acid. And it is usually used as the pharmaceutic intermediate. Besides, its product categories are various, including Amines; blocks; Carboxes; Thiazoles; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Thiazoles, Isothiazoles &Benzothiazoles; Thiazole; Organic acids; Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles.

The characteristics of this chemical are as follows: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 104.45; (10)Index of Refraction: 1.708; (11)Molar Refractivity: 33.895 cm3; (12)Molar Volume: 86.946 cm3; (13)Polarizability: 13.437×10-24 cm3; (14)Surface Tension: 96.545 dyne/cm; (15)Density: 1.658 g/cm3; (16)Flash Point: 204.762 °C; (17)Enthalpy of Vaporization: 70.427 kJ/mol; (18)Boiling Point: 414.962 °C at 760 mmHg; (19)Exact Mass: 143.999348; (20)MonoIsotopic Mass: 143.999348; (21)Topological Polar Surface Area: 104; (22)Heavy Atom Count: 9; (23)Formal Charge: 0; (24)Complexity: 130.

When deal with this chemical, you should be very cautious. Being irritating to eyes, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=C(N=C(S1)N)C(=O)O
(2)InChI: InChI=1S/C4H4N2O2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8) 
(3)InChIKey: FCLDUALXSYSMFB-UHFFFAOYSA-N 

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