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Basic Information
CAS No.: 129922-51-6
Name: 1,1'-BIPHENYL, 2-[(TRIFLUOROMETHYL)THIO]-
Molecular Structure:
Molecular Structure of 129922-51-6 (1,1'-BIPHENYL, 2-[(TRIFLUOROMETHYL)THIO]-)
Formula: C13H9F3S
Molecular Weight: 254.276
Synonyms: 2-[(Trifluoromethyl)thio]-1,1'-biphenyl;
Density: 1.295 g/cm3
Boiling Point: 253.312 °C at 760 mmHg
Flash Point: 107 °C
PSA: 25.30000
LogP: 4.96550
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Specification

The 2-[(Trifluoromethyl)thio]-1,1'-biphenyl is an organic compound with the formula C13H9F3S. The systematic name of this chemical is 2-[(trifluoromethyl)sulfanyl]biphenyl. With the CAS registry number 129922-51-6, it is also named as 1,1'-Biphenyl, 2-[(trifluoromethyl)thio]-. Besides, it is a second-generation cephalosporin antibiotic.

Physical properties about 2-[(Trifluoromethyl)thio]-1,1'-biphenyl are: (1)ACD/LogP: 4.57 ; (2)ACD/LogD (pH 5.5): 6; (3)ACD/LogD (pH 7.4): 6; (4)ACD/BCF (pH 5.5): 9334; (5)ACD/BCF (pH 7.4): 9334; (6)ACD/KOC (pH 5.5): 24175; (7)ACD/KOC (pH 7.4): 24175; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3 Å2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 64.465 cm3; (12)Molar Volume: 196.361 cm3; (13)Polarizability: 25.556×10-24cm3; (14)Surface Tension: 39.358 dyne/cm; (15)Density: 1.295 g/cm3; (16)Flash Point: 107 °C; (17)Enthalpy of Vaporization: 47.086 kJ/mol; (18)Boiling Point: 253.312 °C at 760 mmHg; (19)Vapour Pressure: 0.029 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Sc2ccccc2c1ccccc1
(2)InChI: InChI=1/C13H9F3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: GUDCYYVXWFVCRV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H9F3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(5)Std. InChIKey: GUDCYYVXWFVCRV-UHFFFAOYSA-N