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2-(2-Thienylthio)thiophene

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Name

2-(2-Thienylthio)thiophene

EINECS N/A
CAS No. 3988-99-6 Density 1.37 g/cm3
PSA 81.78000 LogP 3.96080
Solubility N/A Melting Point N/A
Formula C8H6S3 Boiling Point 315 °C at 760 mmHg
Molecular Weight 198.334 Flash Point 144.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3988-99-6 (2-(2-Thienylthio)thiophene) Hazard Symbols N/A
Synonyms

Thiophene,2,2'-thiodi- (7CI,8CI);2,2'-Thiodithiophene;2-Thienyl sulfide;Bis(2-thienyl)sulfide;Di-2-thienyl sulfide;

Article Data 13

2-(2-Thienylthio)thiophene Specification

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

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