CAS No.3988-99-6,2-(2-Thienylthio)thiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3988-99-6
Name:	2-(2-Thienylthio)thiophene
Article Data:	13

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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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 C₈H₆S₃and 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