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Name |
Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole |
EINECS | N/A |
CAS No. | 193-44-2 | Density | 1.659 g/cm3 |
PSA | 101.20000 | LogP | 7.37180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H8S4 | Boiling Point | 574 °C at 760 mmHg |
Molecular Weight | 352.526 | Flash Point | 327.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Tetrathiotetracene;Tetrathianaphthacene; |
Article Data | 6 |
The Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole, with the CAS registry number 193-44-2, is also known as Tetrathianaphthacene. This chemical's molecular formula is C18H8S4 and molecular weight is 352.5161. What's more, its systematic name and its IUPAC name are the same which is called Tetraceno[11,12-cd:5,6-c'd']bis[1,2]dithiole.
Physical properties about Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.51; (4)ACD/LogD (pH 7.4): 6.51; (5)ACD/BCF (pH 5.5): 52217.65; (6)ACD/BCF (pH 7.4): 52217.65; (7)ACD/KOC (pH 5.5): 82907.79; (8)ACD/KOC (pH 7.4): 82907.79; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 101.2 Å2; (13)Index of Refraction: 2.041; (14)Molar Refractivity: 109.1 cm3; (15)Molar Volume: 212.3 cm3; (16)Surface Tension: 100.8 dyne/cm; (17)Density: 1.659 g/cm3; (18)Flash Point: 327.3 °C; (19)Enthalpy of Vaporization: 82.81 kJ/mol; (20)Boiling Point: 574 °C at 760 mmHg; (21)Vapour Pressure: 1.39E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S2Sc3c1ccccc1c5SSc4c6ccccc6c2c3c45
(2) InChI: InChI=1/C18H8S4/c1-2-6-10-9(5-1)15-13-14-16(10)20-22-18(14)12-8-4-3-7-11(12)17(13)21-19-15/h1-8H
(3) InChIKey: JIIYLLUYRFRKMG-UHFFFAOYAV