4-Thiazolecarboxylicacid, 2-(acetylamino)- supplier

Name
2-ACETYLAMINO-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 50602-38-5
Article Data5
CAS DataBase
Density 1.581 g/cm³
Solubility
Melting Point 315-317 °C
Formula C₆H₆N₂O₃S
Boiling Point
Molecular Weight 186.191
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Acetylamino)-1,3-thiazole-4-carboxylicacid;2-(Acetylamino)thiazole-4-carboxylic acid;2-Acetamidothiazole-4-carboxylicacid;
PSA 107.53000
LogP 0.87270

4-Thiazolecarboxylicacid, 2-(acetylamino)- Specification

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

Product Name

2-ACETYLAMINO-THIAZOLE-4-CARBOXYLIC ACID

4-Thiazolecarboxylicacid, 2-(acetylamino)- Specification

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