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CAS No.: | 127198-67-8 |
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Name: | 4-(2-NAPHTHYL)-1,3-DITHIOL-2-THIONE |
Molecular Structure: | |
Formula: | C13H8S3 |
Molecular Weight: | 260.3976 |
Synonyms: | 4-(2-NAPHTHYL)-1,3-DITHIOL-2-THIONE |
Density: | 1.43 g/cm3 |
Boiling Point: | 461.9 °C at 760 mmHg |
Flash Point: | 233.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 88.57000 |
LogP: | 5.35930 |
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The CAS registry number of 1,3-Dithiole-2-thione,4-(2-naphthalenyl)- is 127198-67-8. This chemical's molecular formula is C13H8S3 and molecular weight is 260.3976. What's more, its systematic name is 4-(2-Naphthyl)-1,3-dithiole-2-thione.
Physical properties about 1,3-Dithiole-2-thione,4-(2-naphthalenyl)- are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 82.69 Å2; (9)Index of Refraction: 1.822; (10)Molar Refractivity: 78.98 cm3; (11)Molar Volume: 181 cm3; (12)Polarizability: 31.31×10-24 cm3; (13)Surface Tension: 75.9 dyne/cm; (14)Density: 1.43 g/cm3; (15)Flash Point: 233.2 °C; (16)Enthalpy of Vaporization: 69.52 kJ/mol; (17)Boiling Point: 461.9 °C at 760 mmHg; (18)Vapour Pressure: 2.84E-08 mmHg at 25 °C.
Preparation of 1,3-Dithiole-2-thione,4-(2-naphthalenyl)-: this chemical can be prepared by C15H14NS2(1+)*ClO4(1-). This reaction needs reagent H2S and solvent Pyridine. The reaction time is 15 mins. And the yield is 92%.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C1S\C=C(/S1)c2ccc3ccccc3c2
(2) InChI: S=C1S\C=C(/S1)c2ccc3ccccc3c2
(3) InChIKey: HNIXPUBYMFMJTB-UHFFFAOYAY