This chemical is called 2(3H)-Thiazolone,4-(4-methylphenyl)-, and its systematic name is 4-(4-methylphenyl)-1,3-thiazol-2(3H)-one. With the molecular formula of C10H9NOS, its molecular weight is 191.25. The CAS registry number of this chemical is 2103-90-4.
Other characteristics of the 2(3H)-Thiazolone,4-(4-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 102.94; (6)ACD/BCF (pH 7.4): 99.37; (7)ACD/KOC (pH 5.5): 959.76; (8)ACD/KOC (pH 7.4): 926.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.61 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 54.34 cm3; (15)Molar Volume: 152.4 cm3; (16)Polarizability: 21.54×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.254 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2S\C=C(\c1ccc(cc1)C)N2
2.InChI: InChI=1/C10H9NOS/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
3.InChIKey: FKFCXWOMNWZZQG-UHFFFAOYAJ
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