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CAS No.: | 3988-99-6 |
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Name: | 2-(2-Thienylthio)thiophene |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H6S3 |
Molecular Weight: | 198.334 |
Synonyms: | Thiophene,2,2'-thiodi- (7CI,8CI);2,2'-Thiodithiophene;2-Thienyl sulfide;Bis(2-thienyl)sulfide;Di-2-thienyl sulfide; |
Density: | 1.37 g/cm3 |
Boiling Point: | 315 °C at 760 mmHg |
Flash Point: | 144.3 °C |
PSA: | 81.78000 |
LogP: | 3.96080 |
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The CAS register number of 2-(2-Thienylthio)thiophene is 3988-99-6. It also can be called as Thiophene,2,2'-thiobis- and the IUPAC name about this chemical is 2-thiophen-2-ylsulfanylthiophene. The molecular formula about this chemical is C8H6S3 and the molecular weight is 198.33.
Physical properties about 2-(2-Thienylthio)thiophene are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3.81; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 459.81; (5)ACD/BCF (pH 7.4): 459.81; (6)ACD/KOC (pH 5.5): 2802.08; (7)ACD/KOC (pH 7.4): 2802.08; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 81.78Å2; (10)Index of Refraction: 1.697; (11)Molar Refractivity: 55.75 cm3; (12)Molar Volume: 144.5 cm3; (13)Polarizability: 22.1x10-24cm3; (14)Surface Tension: 58.3 dyne/cm; (15)Flash Point: 144.3 °C; (16)Enthalpy of Vaporization: 53.4 kJ/mol; (17)Boiling Point: 315 °C at 760 mmHg; (18)Vapour Pressure: 0.000832 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1cccc1Sc2sccc2
(2)InChI: InChI=1/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H
(3)InChIKey: AKYIWBKPINOXJY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H
(5)Std. InChIKey: AKYIWBKPINOXJY-UHFFFAOYSA-N