CAS No.121929-87-1,(R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121929-87-1
Name:	(R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone
Article Data:	5

Formula:	C₈H₁₃NOS₂
Molecular Weight:	203.329
Synonyms:	(R)-1-(4-Isopropyl-2-thioxothiazolidin-3-yl)ethanone;2-Thiazolidinethione, 3-acetyl-4-(1-methylethyl)-, (4R)- (9CI);2-Thiazolidinethione, 3-acetyl-4-(1-methylethyl)-, (R)-;
Density:	1.22 g/cm³
Boiling Point:	279.574 °C at 760 mmHg
Flash Point:	122.882 °C
PSA:	77.70000
LogP:	1.82910

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Specification

The (R)-3-Acetyl-4-isopropyl-1,3-thiazolidine-2-thione, with the CAS registry number 1260619-37-1, is also known as 2-Thiazolidinethione, 3-acetyl-4-(1-methylethyl)-, (R)-. This chemical's molecular formula is C₈H₁₃NOS₂ and molecular weight is 203.33. What's more, its systematic name is 1-[(4R)-4-Isopropyl-2-thioxo-1,3-thiazolidin-3-yl]ethanone.

Physical properties of (R)-3-Acetyl-4-isopropyl-1,3-thiazolidine-2-thione are: (1)ACD/LogP: 0.703; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.70; (4)ACD/LogD (pH 7.4): 0.70; (5)ACD/BCF (pH 5.5): 2.01; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 57.46; (8)ACD/KOC (pH 7.4): 57.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 77.7 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 56.118 cm³; (15)Molar Volume: 166.644 cm³; (16)Polarizability: 22.247×10^-24cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 122.882 °C; (20)Enthalpy of Vaporization: 51.826 kJ/mol; (21)Boiling Point: 279.574 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1C(=S)SC[C@H]1C(C)C)C
(2)Std. InChI: InChI=1S/C8H13NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m0/s1
(3)Std. InChIKey: CYDMQPSVCPSMSG-ZETCQYMHSA-N