Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xi | |
Synonyms |
4-Methyl-2-methylamino-thiazole-5-carboxylic acid;4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid; |
Article Data | 2 |
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)