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4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

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Name

4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

EINECS N/A
CAS No. 110859-69-3 Density 1.43g/cm3
PSA 90.46000 LogP 1.26440
Solubility N/A Melting Point 159-160 °C
Formula C6H8N2O2S Boiling Point 346.8°C at 760 mmHg
Molecular Weight 172.208 Flash Point 163.5°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 110859-69-3 (4-METHYL-2-METHYLAMINO-THIAZOLE-5-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

4-Methyl-2-methylamino-thiazole-5-carboxylic acid;4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid;

Article Data 2

4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid Specification

 The 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid with the cas number 110859-69-3. It is also called (1) 5-Thiazolecarboxylic acid, 4-methyl-2-(methylamino)- ; (2) 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid ; (3) 4-Methyl-2-methylamino-thiazole-5-carboxylic acid.

Properties of 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid : (1)ACD/LogP:  0.71  ; (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:  4  ; (8)#H bond donors:  2  ; (9)#Freely Rotating Bonds:  1  ; (10)Polar Surface Area:  70.67Å2  ; (11)Index of Refraction:  1.653  ; (12)Molar Refractivity:  44.09 cm3  ; (13)Molar Volume:  120.3 cm3  ; (14)Polarizability:  17.47 10-24cm3  ; (15)Surface Tension:  66 dyne/cm  ; (16)Density:  1.43 g/cm3  ; (17)Flash Point:  163.5 °C  ; (18)Enthalpy of Vaporization:  62.37 kJ/mol ; (19)Boiling Point:  346.8 °C at 760 mmHg  ; (20)Vapour Pressure:  2.13E-05 mmHg at 25°C

You can still convert the following datas into molecular structure :
1. SMILES: O=C(O)c1sc(nc1C)NC
2. InChI: InChI=1/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10)

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