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CAS No.: | 50602-38-5 |
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Name: | 2-ACETYLAMINO-THIAZOLE-4-CARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6N2O3S |
Molecular Weight: | 186.191 |
Synonyms: | 2-(Acetylamino)-1,3-thiazole-4-carboxylicacid;2-(Acetylamino)thiazole-4-carboxylic acid;2-Acetamidothiazole-4-carboxylicacid; |
Density: | 1.581 g/cm3 |
Melting Point: | 315-317 °C |
Hazard Symbols: | Xi |
PSA: | 107.53000 |
LogP: | 0.87270 |
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The CAS register number of 4-Thiazolecarboxylicacid, 2-(acetylamino)- is 50602-38-5. It also can be called as 2-(Acetylamino)thiazole-4-carboxylic acid and the systematic name about this chemical is 2-(acetylamino)-1,3-thiazole-4-carboxylic acid. The molecular formula about this chemical is C6H6N2O3S and the molecular weight is 186.19. This Chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Thiazolecarboxylicacid, 2-(acetylamino)- are: (1)ACD/LogP: 0.44; (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: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 87.74 Å2; (10)Index of Refraction: 1.668; (11)Molar Refractivity: 43.93 cm3; (12)Molar Volume: 117.7 cm3; (13)Polarizability: 17.41x10-24cm3; (14)Surface Tension: 78.4 dyne/cm; (15)Density: 1.581 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1nc(C(=O)O)cs1)C
(2)InChI: InChI=1/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
(3)InChIKey: ZKINQVZUSLLCJY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
(5)Std. InChIKey: ZKINQVZUSLLCJY-UHFFFAOYSA-N