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

Name
5,6,11,12-Tetrathiotetracene
EINECS
CAS No. 193-44-2
Article Data6
CAS DataBase
Density 1.659 g/cm³
Solubility
Melting Point
Formula C₁₈H₈S₄
Boiling Point 574 °C at 760 mmHg
Molecular Weight 352.526
Flash Point 327.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tetrathiotetracene;Tetrathianaphthacene;
PSA 101.20000
LogP 7.37180

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

Product Name

5,6,11,12-Tetrathiotetracene

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

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