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7289-45-4

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Basic Information
CAS No.: 7289-45-4
Name: METHYL TETRADECYLSULFIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 7289-45-4 (METHYL TETRADECYLSULFIDE)
Formula: C15H32S
Molecular Weight: 244.485
Synonyms: Sulfide,methyl tetradecyl (6CI,7CI,8CI);Methyl tetradecyl sulfide;
EINECS: 230-717-6
Density: 0.842 g/cm3
Boiling Point: 320.1 °C at 760 mmHg
Flash Point: 163.2 °C
PSA: 25.30000
LogP: 6.05050
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Specification

This chemical is called Tetradecane, 1-(methylthio)-, and its systematic name is 1-(methylsulfanyl)tetradecane. With the molecular formula of C15H32S, its molecular weight is 244.48. The CAS registry number of this chemical is 7289-45-4.

Other characteristics of the Tetradecane, 1-(methylthio)- can be summarised as followings: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)ACD/BCF (pH 5.5): 494410.28; (6)ACD/BCF (pH 7.4): 494410.28; (7)ACD/KOC (pH 5.5): 414380.41; (8)ACD/KOC (pH 7.4): 414380.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 79.53 cm3; (15)Molar Volume: 290.1 cm3; (16)Polarizability: 31.53×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 53.94 kJ/mol; (21)Boiling Point: 320.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000607 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S(CCCCCCCCCCCCCC)C
2.InChI: InChI=1/C15H32S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h3-15H2,1-2H3
3.InChIKey: HMRLUJVOJIHNDQ-UHFFFAOYAE