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Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole

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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 Molecular Structure of 193-44-2 (5,6,11,12-Tetrathiotetracene) Hazard Symbols N/A
Synonyms

Tetrathiotetracene;Tetrathianaphthacene;

Article Data 6

Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole Specification

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

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