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CAS No.: | 10181-56-3 |
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Name: | 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDITHIONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C8H12S2 |
Molecular Weight: | 172.315 |
Synonyms: | 2,2,4,4-Tetramethyl-1,3-cyclobutanedithione;2,2,4,4-Tetramethylcyclobutan-1,3-dithione;NSC 361243;Tetramethyl-1,3-cyclobutanedithione; |
Density: | 1.12 g/cm3 |
Boiling Point: | 225 °C at 760 mmHg |
Flash Point: | 89.9 °C |
PSA: | 64.18000 |
LogP: | 2.79220 |
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The 1,3-Cyclobutanedithione,2,2,4,4-tetramethyl-, with the CAS registry number 10181-56-3, is also known as Tetramethyl-1,3-cyclobutanedithione. This chemical's molecular formula is C8H12S2 and molecular weight is 172.31. What's more, its systematic name is 2,2,4,4-Tetramethylcyclobutane-1,3-dithione.
Physical properties of 1,3-Cyclobutanedithione,2,2,4,4-tetramethyl- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.64; (8)ACD/KOC (pH 7.4): 60.64; (9)Polar Surface Area: 64.18 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 51.27 cm3; (12)Molar Volume: 153.5 cm3; (13)Polarizability: 20.32×10-24 cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.12 g/cm3; (16)Flash Point: 89.9 °C; (17)Enthalpy of Vaporization: 44.27 kJ/mol; (18)Boiling Point: 225 °C at 760 mmHg; (19)Vapour Pressure: 0.133 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(C(=S)C(C1=S)(C)C)C
(2)InChI: InChI=1S/C8H12S2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3
(3)InChIKey: WHXVCQHNIQHNMM-UHFFFAOYSA-N