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

Name
1,2,4,5-TETRAKIS(TERT-BUTYLTHIO)BENZENE
EINECS
CAS No. 447463-65-2
Article Data11
CAS DataBase
Density 1.057 g/cm³
Solubility
Melting Point 145-153 °C
Formula C₂₂H₃₈S₄
Boiling Point 469.559 °C at 760 mmHg
Molecular Weight 430.808
Flash Point 120.765 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4,5-Tetrakis[(2-methyl-2-propanyl)sulfanyl]benzene;
PSA 101.20000
LogP 9.24900

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

Product Name

1,2,4,5-TETRAKIS(TERT-BUTYLTHIO)BENZENE

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

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