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42163-70-2

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Basic Information
CAS No.: 42163-70-2
Name: (S)-4-Isopropyl-1,3-thiazolidine-2-thione
Article Data: 2
Molecular Structure:
Molecular Structure of 42163-70-2 ((S)-4-Isopropyl-1,3-thiazolidine-2-thione)
Formula: C6H11NS2
Molecular Weight: 161.292
Synonyms: 4-Isopropyl-1,3-thiazolidine-2-thione;4-Isopropylthiazolidine-2-thione;
Density: 1.17 g/cm3
Melting Point: 66-67 °C
Boiling Point: 223.3 °C at 760 mmHg 
Flash Point: 88.9 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 69.42000
LogP: 1.96110
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Specification

The (S)-4-Isopropyl-1,3-thiazolidine-2-thione, with the cas registry number of 42163-70-2, is also known as 2-Thiazolidinethione, 4-(1-methylethyl)-, (4S)-. It belongs to the product categories of ISOPROPYL. This chemical's molecular formula is C6H11NS2 and formula weight is 161.29. What's more, its systematic name is called (4S)-4-(Propan-2-yl)-1,3-thiazolidine-2-thione.

Physical properties about this chemical 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)Polar Surface Area: 60.63 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 46.51 cm3; (15)Molar Volume: 137.5 cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Enthalpy of Vaporization: 45.98 kJ/mol; (18)Vapour Pressure: 0.0968 mmHg at 25°C.

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