Product Name

Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethylester Specification

The Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethylester is an organic compound with the formula C8H11BrN2O2S. With the CAS registry number 944804-88-0, its systematic name is tert-Butyl (4-bromo-1,3-thiazol-2-yl)carbamate.

Physical properties of Carbamic acid, N-(4-bromo-2-thiazolyl)-, 1,1-dimethylethylester: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 76.11; (7)ACD/KOC (pH 7.4): 7.51; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 60.3 cm3; (13)Molar Volume: 177.3 cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.574 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1nc(cs1)Br
(2)InChI: InChI=1/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)
(3)InChIKey: OVRIFGLINJVMLO-UHFFFAOYAT

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