Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-4-Isopropylthiazolidine-2-thione |
EINECS | N/A |
CAS No. | 76186-04-4 | Density | 1.17 g/cm3 |
PSA | 69.42000 | LogP | 1.96110 |
Solubility | N/A | Melting Point |
69-71 °C |
Formula | C6H11NS2 | Boiling Point | 223.3 °C at 760 mmHg |
Molecular Weight | 161.292 | Flash Point | 88.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(4S)-4-(Propan-2-yl)-1,3-thiazolidine-2-thione;(4S)-4-Isopropyl-1,3-thiazolidine-2-thione;4-Isopropyl-thiazolidine-2-thione; |
Article Data | 4 |
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