THIAZOLIDINE-2,4-DICARBOXYLIC ACID

The 1,3-thiazolane-2,4-dicarboxylic acid, with the CAS registry number 30097-06-4, is also known as 2-Carboxythiazolidine-4-carboxylic acid. Its EINECS number is 250-048-3. This chemical's molecular formula is C₅H₇NO₄S and molecular weight is 177.18. What's more, its IUPAC name is 1,3-thiazolidine-2,4-dicarboxylic acid. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. This chemical, that is Tidiacic, is a hepatoprotective drug. It is a component of tidiacic arginine.

Physical properties of 1,3-thiazolane-2,4-dicarboxylic acid are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.94; (4)ACD/LogD (pH 7.4): -4.11; (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: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 81.14 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 37.56 cm³; (15)Molar Volume: 108.7 cm³; (16)Polarizability: 14.88×10^-24cm³; (17)Surface Tension: 76.5 dyne/cm; (18)Density: 1.629 g/cm³; (19)Flash Point: 270.9 °C; (20)Enthalpy of Vaporization: 87.33 kJ/mol; (21)Boiling Point: 524.3 °C at 760 mmHg; (22)Vapour Pressure: 2.14E-12 mmHg at 25°C.

Uses of 1,3-thiazolane-2,4-dicarboxylic acid: it can be used to produce thiazolidine-2,4-dicarboxylic acid dimethyl ester at the room temperature. It will need reagent thionyl chloride with the reaction time of 12 hours. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(NC(S1)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)
(3)InChIKey: DAXBISKSIDBYEU-UHFFFAOYSA-N