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102831-92-5

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Basic Information
CAS No.: 102831-92-5
Name: (S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione
Article Data: 7
Molecular Structure:
Molecular Structure of 102831-92-5 ((S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione)
Formula: C9H15NO2S
Molecular Weight: 217.356
Synonyms: 2-Thiazolidinethione,4-(1-methylethyl)-3-(1-oxopropyl)-, (S)-;
Density: 1.148 g/cm3
Boiling Point: 252.242 °C at 760 mmHg
Flash Point: 106.353 °C
PSA: 61.63000
LogP: 1.50260
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Specification

This chemical is called (S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione, and its systematic name is (4S)-4-(1-methylethyl)-3-propanoyl-1,3-oxazolidine-2-thione. With the molecular formula of C9H15NO2S, its molecular weight is 201.29. In addition, the CAS registry number of this chemical is 102831-92-5.

Other characteristics of the (S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 61.63 Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 54.476 cm3; (9)Molar Volume: 175.316 cm3; (10)Polarizability: 21.596×10-24cm3; (11)Surface Tension: 45.489 dyne/cm; (12)Density: 1.148 g/cm3; (13)Flash Point: 106.353 °C; (14)Enthalpy of Vaporization: 48.958 kJ/mol; (15)Boiling Point: 252.242 °C at 760 mmHg; (16)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(N1C(=S)OC[C@@H]1C(C)C)CC
(2)InChI: InChI=1/C9H15NO2S/c1-4-8(11)10-7(6(2)3)5-12-9(10)13/h6-7H,4-5H2,1-3H3/t7-/m1/s1
(3)InChIKey: FIEFJRBGCDTCBC-SSDOTTSWBX
(4)Std. InChI: InChI=1S/C9H15NO2S/c1-4-8(11)10-7(6(2)3)5-12-9(10)13/h6-7H,4-5H2,1-3H3/t7-/m1/s1 CopyCopied
(5)Std. InChIKey: FIEFJRBGCDTCBC-SSDOTTSWSA-N