3-Thiazolidineaceticacid, 5-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo- (65152-09-2)

The 5-[(3-Methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid is an organic compound with the formula C₁₁H₁₂N₂O₃S₃. The IUPAC name of this chemical is 2-[(5Z)-5-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid. With the CAS registry number 65152-09-2, it is also named as 3-Carboxymethyl-5-((3-methyl-2-thiazolidinylidene)-ethylidene)rhodanine.

Physical properties about 5-[(3-Methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid are: (1)ACD/LogP: 0.30; (2)ACD/LogD (pH 5.5): -1.57; (3)ACD/LogD (pH 7.4): -3.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 132.54 Å²; (12)Index of Refraction: 1.757; (13)Molar Refractivity: 80.93 cm³; (14)Molar Volume: 197 cm³; (15)Polarizability: 32.08×10^-24cm³; (16)Surface Tension: 92.2 dyne/cm; (17)Density: 1.6 g/cm³; (18)Flash Point: 235.3 °C; (19)Enthalpy of Vaporization: 79.65 kJ/mol; (20)Boiling Point: 465.4 °C at 760 mmHg; (21)Vapour Pressure: 5.98E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1C(=O)C(\SC1=S)=C\C=C2/SCCN2C
(2)InChI: InChI=1/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)/b7-2-,8-3-
(3)InChIKey: AMSAICQWZZDCEM-ZXCOBTLNBF
(4)Std. InChI: InChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)/b7-2-,8-3-
(5)Std. InChIKey: AMSAICQWZZDCEM-ZXCOBTLNSA-N