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

Name
4-bromo-4'-methylsulfanyl-biphenyl
EINECS
CAS No. 3393-00-8
Article Data3
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₁BrS
Boiling Point 371.6 °C at 760 mmHg
Molecular Weight 279.2
Flash Point 178.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1'-Biphenyl, 4-bromo-4'-(methylthio)-;
PSA 25.30000
LogP 4.83800

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

Product Name

4-bromo-4'-methylsulfanyl-biphenyl

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

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