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Basic Information
CAS No.: 447463-65-2
Name: 1,2,4,5-TETRAKIS(TERT-BUTYLTHIO)BENZENE
Molecular Structure:
Molecular Structure of 447463-65-2 (1,2,4,5-TETRAKIS(TERT-BUTYLTHIO)BENZENE)
Formula: C22H38S4
Molecular Weight: 430.808
Synonyms: 1,2,4,5-Tetrakis[(2-methyl-2-propanyl)sulfanyl]benzene;
Density: 1.057 g/cm3
Melting Point: 145-153 °C
Boiling Point: 469.559 °C at 760 mmHg
Flash Point: 120.765 °C
Safety: 24/25
PSA: 101.20000
LogP: 9.24900
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    1,2,4,5-Tetrakis(tert-butylthio)benzene, 97%

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    1，2，4，5-Tetrakis(tert-butylthio)benzene

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Specification

The 1,2,4,5-Tetrakis(tert-butylthio)benzene, with the CAS registry number 447463-65-2, is also known as Benzene,1,2,4,5-tetrakis[(1,1-dimethylethyl)thio]-. This chemical's molecular formula is C22H38S4 and molecular weight is 430.80. What's more, its systematic name is 1,2,4,5-Tetrakis[(2-methyl-2-propanyl)sulfanyl]benzene.

Physical properties of 1,2,4,5-Tetrakis(tert-butylthio)benzene are: (1)ACD/LogP: 9.275 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 9.28; (3)ACD/LogD (pH 7.4): 9.28; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 2647520.00; (7)ACD/KOC (pH 7.4): 2647520.00; (8)#H bond acceptors: 0; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 101.2 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 132.903 cm3; (14)Molar Volume: 407.511 cm3; (15)Polarizability: 52.687×10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.057 g/cm3; (18)Flash Point: 120.765 °C; (19)Enthalpy of Vaporization: 70.396 kJ/mol; (20)Boiling Point: 469.559 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1cc(SC(C)(C)C)c(SC(C)(C)C)cc1SC(C)(C)C)C(C)(C)C
(2)Std. InChI: InChI=1S/C22H38S4/c1-19(2,3)23-15-13-17(25-21(7,8)9)18(26-22(10,11)12)14-16(15)24-20(4,5)6/h13-14H,1-12H3
(3)Std. InChIKey: LOCUYYPERSWXJI-UHFFFAOYSA-N