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65152-09-2

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Basic Information
CAS No.: 65152-09-2
Name: 5-[(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid
Molecular Structure:
Molecular Structure of 65152-09-2 (5-[(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid)
Formula: C11H12N2O3S3
Molecular Weight: 316.41958
Synonyms: 3-Thiazolidineaceticacid, 5-[(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo- (9CI);
EINECS: 265-567-0
Density: 1.6 g/cm3
Boiling Point: 465.4 °C at 760 mmHg
Flash Point: 235.3 °C
PSA: 143.54000
LogP: 1.21100
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  • 3-THIAZOLIDINEACETIC ACID 5-[(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO-

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Specification

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