(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE

The (S)-4-Isopropylthiazolidine-2-thione with CAS registry number of 76186-04-4 is also known as 2-Thiazolidinethione,4-(1-methylethyl)-, (4S)-. The systematic name is (4S)-4-(Propan-2-yl)-1,3-thiazolidine-2-thione. It belongs to product categories of Isopropyl; Asymmetric Synthesis; Synthetic Organic Chemistry. In addition, the formula is C₆H₁₁NS₂ and the molecular weight is 161.29. This chemical may cause inflammation to the skin or other mucous membranes that should be sealed in cool, dry place away from oxidants, heat, fire without light.

Physical properties about (S)-4-Isopropylthiazolidine-2-thione are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.39; (6)ACD/BCF (pH 7.4): 27.39; (7)ACD/KOC (pH 5.5): 372.06; (8)ACD/KOC (pH 7.4): 372.07; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 46.51 cm³; (14)Molar Volume: 137.5 cm³; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 88.9 °C; (18)Enthalpy of Vaporization: 45.98 kJ/mol; (19)Boiling Point: 223.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0968 mmHg at 25 °C.

Preparation of (S)-4-Isopropylthiazolidine-2-thione: it is prepared by reaction of carbon disulfide with L-valine ol. The reaction needs reagent KOH and solvent aq. ethanol with other condition of heating. The yield is about 65.3%.

Uses of (S)-4-Isopropylthiazolidine-2-thione: it is used to produce 3-[(phenylthio)acetyl]-4(S)-isopropyl-1,3-thiazolidine-2-thione by reaction with phenylsulfanyl-acetic acid. The reaction occurs with reagents DCC, DMAP and solvent CH₂Cl₂ with other condition of ambient temperature for 11 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES:S=C1SC[C@@H](N1)C(C)C
2. InChI:InChI=1/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
3. InChIKey:CWIZUGZKLJDJLE-RXMQYKEDBI
4. Std. InChI:InChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
5. Std. InChIKey:CWIZUGZKLJDJLE-RXMQYKEDSA-N