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4'-Bromo-4-(methylthio)-biphenyl

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Name

4'-Bromo-4-(methylthio)-biphenyl

EINECS N/A
CAS No. 3393-00-8 Density 1.44 g/cm3
PSA 25.30000 LogP 4.83800
Solubility N/A Melting Point N/A
Formula C13H11BrS Boiling Point 371.6 °C at 760 mmHg
Molecular Weight 279.2 Flash Point 178.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3393-00-8 (4-bromo-4'-methylsulfanyl-biphenyl) Hazard Symbols N/A
Synonyms

1,1'-Biphenyl, 4-bromo-4'-(methylthio)-;

Article Data 3

4'-Bromo-4-(methylthio)-biphenyl Specification

The 4'-Bromo-4-(methylthio)-biphenyl, with the CAS registry number of 3393-00-8, is also known as 1,1'-Biphenyl, 4-bromo-4'-(methylthio)-. Its molecular formula is C13H11BrS and molecular weight is 279.19544. What's more, its IUPAC name is 1-Bromo-4-(4-methylsulfanylphenyl)benzene.

Physical properties about the 4'-Bromo-4-(methylthio)-biphenyl are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.72; (4)ACD/LogD (pH 7.4): 5.72; (5)ACD/BCF (pH 5.5): 13211.28; (6)ACD/BCF (pH 7.4): 13211.28; (7)ACD/KOC (pH 5.5): 30999.93; (8)ACD/KOC (pH 7.4): 30999.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 71.81 cm3; (15)Molar Volume: 193.4 cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.44 g/cm3; (18)Flash Point: 178.5 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 371.6 °C at 760 mmHg; (21)Vapour Pressure: 2.18E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(c1ccc(SC)cc1)cc2
(2) InChI: InChI=1/C13H11BrS/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
(3) InChIKey: JUDYTMYLNUSWQC-UHFFFAOYAO

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