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Name |
4-Thiazolecarboxylicacid,2-amino-5-methyl-(9CI) |
EINECS | N/A |
CAS No. | 688064-14-4 | Density | 1.532 g/cm3 |
PSA | 104.45000 | LogP | 1.31310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6N2O2S | Boiling Point | 400.609 °C at 760 mmHg |
Molecular Weight | 158.17 | Flash Point | 196.082 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-methylthiazole-4-carboxylic acid;2-Amino-5-methyl-1,3-thiazole-4-carboxylic acid; |
The 4-Thiazolecarboxylicacid,2-amino-5-methyl-(9CI), with the CAS registry number 688064-14-4, is also known as 2-Amino-5-methylthiazole-4-carboxylic acid. It belongs to the product categories of Carboxylicacid; Glycinescaffold. This chemical's molecular formula is C5H6N2O2S and molecular weight is 158.17. What's more, its systematic name is 2-Amino-5-methyl-1,3-thiazole-4-carboxylic acid.
Physical properties of 4-Thiazolecarboxylicacid,2-amino-5-methyl-(9CI) are: (1)ACD/LogP: 0.47; (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: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 104.45 Å2; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 38.72 cm3; (13)Molar Volume: 103.222 cm3; (14)Polarizability: 15.35×10-24 cm3; (15)Surface Tension: 81.547 dyne/cm; (16)Density: 1.532 g/cm3; (17)Flash Point: 196.082 °C; (18)Enthalpy of Vaporization: 68.704 kJ/mol; (19)Boiling Point: 400.609 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(nc(s1)N)C(=O)O
(2)InChI: InChI=1/C5H6N2O2S/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H2,6,7)(H,8,9)
(3)InChIKey: BAANOAVDEBKXEY-UHFFFAOYAR