3H-1,2-Dithiole-3-thione,5-(4-bromophenyl)- supplier

Name
5-(4-Bromo-phenyl)-[1,2]dithiole-3-thione
EINECS
CAS No. 14659-11-1
Article Data4
CAS DataBase
Density 1.8 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3H-1,2-Dithiole-3-thione, 5-(p-bromophenyl)-(7CI,8CI);1,2-Dithiole-3-thione,5-(p-bromophenyl)- (6CI);
PSA 88.57000
LogP 4.96860

3H-1,2-Dithiole-3-thione,5-(4-bromophenyl)- Specification

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

Product Name

5-(4-Bromo-phenyl)-[1,2]dithiole-3-thione

3H-1,2-Dithiole-3-thione,5-(4-bromophenyl)- Specification

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