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| Name |
3H-1,2-Dithiole-3-thione,5-mercapto-4-phenyl- |
EINECS | N/A |
| CAS No. | 16101-90-9 | Density | 1.5 g/cm3 |
| PSA | 127.37000 | LogP | 4.49480 |
| Solubility | N/A | Melting Point |
153 °C |
| Formula | C9H6S4 | Boiling Point | 387.5 °C at 760 mmHg |
| Molecular Weight | 242.411 | Flash Point | 188.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-MERCAPTO-4-PHENYL-3H-1,2-DITHIOLE-3-THIONE;5-MERCAPTO-4-PHENYL-1,2-DITHIOLE-3-THIONE;4-Phenyl-5-thio-3H-1,2-dithiole-3-thione;5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione, 4-Phenyl-5-sulphanyl-3H-1,2-dithiole-3-thione, 3-Oxo-4-phenyl-5-sulphanyl-3H-1,2-dithiole |
3H-1,2-Dithiole-3-thione,5-mercapto-4-phenyl- Specification
The 3H-1,2-Dithiole-3-thione,5-mercapto-4-phenyl- is an organic compound with the formula C9H6S4. The systematic name of this chemical is 4-Phenyl-5-sulfanyl-3H-1,2-dithiole-3-thione. With the CAS registry number 16101-90-9, it is also named as 5-Mercapto-4-phenyl-3H-1,2-dithiole-3-thione. Besides, its molecular weight is 242.4.
Physical properties about 3H-1,2-Dithiole-3-thione,5-mercapto-4-phenyl- are: (1)ACD/LogP: 3.53; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 107.99 Å2; (4)Index of Refraction: 1.8; (5)Molar Refractivity: 69.05 cm3; (6)Molar Volume: 161.4 cm3; (7)Polarizability: 27.37×10-24 cm3; (8)Surface Tension: 77.4 dyne/cm; (9)Density: 1.5 g/cm3; (10)Flash Point: 188.2 °C; (11)Enthalpy of Vaporization: 61.17 kJ/mol; (12)Boiling Point: 387.5 °C at 760 mmHg; (13)Vapour Pressure: 7.29E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H6S4/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5,10H
(2)InChIKey: AQMVADRHHHVXAA-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C9H6S4/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5,10H
(4)Std. InChIKey: AQMVADRHHHVXAA-UHFFFAOYSA-N
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