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This chemical is called [5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid, and it can also be named as 3-Thiazolidineacetic acid, 5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thioxo. With the molecular formula of C16H14N2O3S3, its molecular weight is 378.48. The CAS registry number of this chemical is 25962-03-2.
Other characteristics of the [5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 132.54 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 101 cm3; (15)Molar Volume: 239.6 cm3; (16)Polarizability: 40.04×10-24cm3; (17)Surface Tension: 92.3 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 254.5 °C; (20)Enthalpy of Vaporization: 80.58 kJ/mol; (21)Boiling Point: 497.3 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(C(=S)S/C1=C\C=C3\Sc2ccccc2N3CC)CC(=O)O
2.InChI: InChI=1/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7-,13-8+
3.InChIKey: NVXMOCINNAPHSD-HAKHBUOSBN