[1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)- supplier

Name
4'-METHYLSULFANYL-BIPHENYL-4-CARBALDEHYDE
EINECS
CAS No. 221018-02-6
Article Data6
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂OS
Boiling Point 387.1 °C at 760 mmHg
Molecular Weight 228.3095
Flash Point 212.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-METHYLSULFANYL-BIPHENYL-4-CARBALDEHYDE;4-(METHYLSULFANYL)[1,1-BIPHENYL]-4-CARBALDEHYDE;4-(4-METHYLTHIOPHENYL)BENZALDEHYDE;AKOS BAR-0265
PSA 42.37000
LogP 3.88800

[1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)- Specification

The [1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)-, with the CAS registry number of 221018-02-6, is also known as 4'-(Methylsulfanyl)biphenyl-4-carbaldehyde. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₁₂OS and molecular weight is 228.31. What's more, its IUPAC name is 4-(4-Methylsulfanylphenyl)benzaldehyde.

Physical properties about the [1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)- are: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2094.24; (6)ACD/BCF (pH 7.4): 2094.24; (7)ACD/KOC (pH 5.5): 8294.44; (8)ACD/KOC (pH 7.4): 8294.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 69.06 cm³; (15)Molar Volume: 193.6 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.17 g/cm³; (18)Flash Point: 212.9 °C; (19)Enthalpy of Vaporization: 63.61 kJ/mol; (20)Boiling Point: 387.1 °C at 760 mmHg; (21)Vapour Pressure: 3.38E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(c1ccc(SC)cc1)cc2
(2) InChI: InChI=1/C14H12OS/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
(3) InChIKey: AIQQOUGEPPIVBV-UHFFFAOYAC

Product Name

4'-METHYLSULFANYL-BIPHENYL-4-CARBALDEHYDE

[1,1'-Biphenyl]-4-carboxaldehyde,4'-(methylthio)- Specification

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