N-CARBOXYETHYLRHODANINE

The 3-Thiazolidinepropanoicacid, 4-oxo-2-thioxo-, with the CAS registry number 7025-19-6, is also known as 3-(4-Oxo-2-thioxo-thiazolidin-3-yl)propionic acid. Its EINECS registry number is 230-307-7. This chemical's molecular formula is C₆H₇NO₃S₂ and molecular weight is 205.25. What's more, its IUPAC name is 3-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid. Its classification code is Drug / Therapeutic Agent.

Physical properties about 3-Thiazolidinepropanoicacid, 4-oxo-2-thioxo-: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -3.51; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 104 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 48.55 cm³; (15)Molar Volume: 127.2 cm³; (16)Surface Tension: 91.3 dyne/cm; (17)Density: 1.61 g/cm³; (18)Flash Point: 187.2 °C; (19)Enthalpy of Vaporization: 69.69 kJ/mol; (20)Boiling Point: 385.9 °C at 760 mmHg; (21)Vapour Pressure: 5E-07 mmHg at 25 °C; (22)Melting point: 158-160 °C.

Uses of 3-Thiazolidinepropanoicacid, 4-oxo-2-thioxo-: it is used to produce other chemicals. For example, it can react with 4-[Bis(2-bromoethyl)amino]benzaldehyd to get 3-(5-{4-[Bis-(2-bromo-ethyl)-amino]-benzylidene}-4-oxo-2-thioxo-thiazolidin-3-yl)-propionic acid. The reaction occurs with reagent Piperidine and solvent Ethanol. The yield is 76%.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1SCC(=O)N1CCC(=O)O
(2) InChI: InChI=1/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
(3) InChIKey: SWAHCTPCIUXXTQ-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2055mg/kg (2055mg/kg)		Farmakologiya i Toksikologiya Vol. 24, Pg. 33, 1961. Link to PubMed