The (2-Aminothiazol-4-yl)methanol is an organic compound with the formula C4H6N2OS. The IUPAC name of this chemical is (2-amino-1,3-thiazol-4-yl)methanol. With the CAS registry number 51307-43-8, it is also named as 4-thiazolemethanol, 2-amino-. The product's categories are Thiazole; Chemical Amines; Amines; Heterocycles. It is a kind of pale yellow oil.
The other characteristics of (2-Aminothiazol-4-yl)methanol can be summarized as:(1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.603; (4)ACD/LogD (pH 7.4): 0.621; (5)ACD/BCF (pH 5.5): 1.676; (6)ACD/BCF (pH 7.4): 1.745; (7)ACD/KOC (pH 5.5): 49.775; (8)ACD/KOC (pH 7.4): 51.842; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 87.38 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 33.416 cm3; (15)Molar Volume: 88.233 cm3; (16)Polarizability: 13.247×10-24 cm3; (17)Surface Tension: 80.094 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 159.873 °C; (20)Enthalpy of Vaporization: 61.671 kJ/mol; (21)Boiling Point: 340.738 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:c1c(nc(s1)N)CO
2. InChI:InChI=1/C4H6N2OS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2,(H2,5,6)
3. InChIKey:FNXARVNPSVMCEY-UHFFFAOYAJ
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