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Name |
3H-1,2-Dithiole-3-thione,5-(4-bromophenyl)- |
EINECS | N/A |
CAS No. | 14659-11-1 | Density | 1.8 g/cm3 |
PSA | 88.57000 | LogP | 4.96860 |
Solubility | N/A | Melting Point |
129 °C |
Formula | C9H5BrS3 | Boiling Point | 404.7 °C at 760 mmHg |
Molecular Weight | 289.235 | Flash Point | 198.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3H-1,2-Dithiole-3-thione, 5-(p-bromophenyl)-(7CI,8CI);1,2-Dithiole-3-thione,5-(p-bromophenyl)- (6CI); |
Article Data | 4 |
The 3H-1, 2-Dithiole-3-thione, 5-(4-bromophenyl)-, with the CAS registry number 14659-11-1, is also known as 5-(4-Bromo-phenyl)-[1, 2]dithiole-3-thione. This chemical's molecular formula is C9H5BrS3 and molecular weight is 289.235. What's more, its systematic name is 5-(4-Bromophenyl)-3H-1, 2-dithiole-3-thione.
Physical properties about 3H-1, 2-Dithiole-3-thione, 5-(4-bromophenyl)- are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 82.69 Å2; (7)Index of Refraction: 1.81; (8)Molar Refractivity: 69.14 cm3; (9)Molar Volume: 160.2 cm3; (10)Polarizability: 27.41×10-24 cm3; (11)Surface Tension: 81 dyne/cm; (12)Density: 1.8 g/cm3; (13)Flash Point: 198.6 °C; (14)Enthalpy of Vaporization: 63.06 kJ/mol; (15)Boiling Point: 404.7 °C at 760 mmHg; (16)Vapour Pressure: 2.17E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(C=1SSC(=S)C=1)cc2
(2) InChI: InChI=1/C9H5BrS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H
(3) InChIKey: MHNGECZIVWUASC-UHFFFAOYAP