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CAS No.: | 66519-90-2 |
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Name: | Ethynedithiol |
Molecular Structure: | |
Formula: | C2H2S2 |
Molecular Weight: | 90.16728 |
Synonyms: | Ethyne-1,2-dithiol; |
Density: | 1.236 g/cm3 |
Boiling Point: | 94.592 °C at 760 mmHg |
Flash Point: | 14.305 °C |
The Ethynedithiol, with the CAS registry number 66519-90-2, is also known as Dithiolene. This chemical's molecular formula is C2H2S2 and molecular weight is 90.16728. What's more, its systematic name is called Ethyne-1,2-dithiol.
Physical properties about Ethynedithiol are: (1) ACD/LogP: 1.76; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 0; (8) #H bond donors: 0; (9) #Freely Rotating Bonds: 1; (10) Polar Surface Area: 77.6 Å2; (11) Index of Refraction: 1.605; (12) Molar Refractivity: 25.113 cm3; (13) Molar Volume: 72.95 cm3; (14) Surface Tension: 49.596 dyne/cm; (15) Density: 1.236 g/cm3; (16) Flash Point: 14.305 °C; (17) Enthalpy of Vaporization: 32.042 kJ/mol; (18) Boiling Point: 94.592 °C at 760 mmHg; (19) Vapour Pressure: 53.674 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(#CS)S
(2) InChI: InChI=1/C2H2S2/c3-1-2-4/h3-4H
(3) InChIKey: KBRJCXVWMDKSQC-UHFFFAOYAX