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Basic Information
CAS No.: 1613-46-3
Name: N-BUTYL N-PROPYL SULPHIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 1613-46-3 (N-BUTYL N-PROPYL SULPHIDE)
Formula: C7H16S
Molecular Weight: 132.27
Synonyms: Sulfide,butyl propyl (6CI,7CI,8CI);4-Thiaoctane;Butyl propyl sulfide;NSC 163955;Propyl butyl sulfide;
Density: 0.836 g/cm3
Melting Point: -66.8°C (estimate)
Boiling Point: 167.2 °C at 760 mmHg
Flash Point: 52.8 °C
Hazard Symbols: R10:Flammable.;
Risk Codes: R10
PSA: 25.30000
LogP: 2.92970
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Specification

The Butane, 1-(propylthio)-, with the CAS registry number 1613-46-3, is also known as Butyl propyl sulfide. This chemical's molecular formula is C7H16S and molecular weight is 132.27. What's more, its systematic name is 1-propylsulfanylbutane. 

Physical properties of Butane, 1-(propylthio)- are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 25.3 Å2; (5)Index of Refraction: 1.45; (6)Molar Refractivity: 42.47 cm3; (7)Molar Volume: 158 cm3; (8)Surface Tension: 27.3 dyne/cm; (9)Density: 0.836 g/cm3; (10)Flash Point: 52.8 °C; (11)Enthalpy of Vaporization: 38.7 kJ/mol; (12)Boiling Point: 167.2 °C at 760 mmHg; (13)Vapour Pressure: 2.27 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-iodo-butane, propane-1-thiol by heating. This reaction will need reagent Na2CO3 and solvent acetone with the reaction time of 24 hours. This reaction will also need catalyst Pt(dppm)Cl2. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCSCCC
(2)InChI: InChI=1S/C7H16S/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3
(3)InChIKey: ZBRWJPVULTZZCE-UHFFFAOYSA-N